diff --git a/Code/GraphMol/Aromaticity.cpp b/Code/GraphMol/Aromaticity.cpp
index 6768c38c0..0d51b9933 100644
--- a/Code/GraphMol/Aromaticity.cpp
+++ b/Code/GraphMol/Aromaticity.cpp
@@ -415,7 +415,7 @@ void applyHuckelToFused(
       std::copy(curRs.begin(), curRs.end(),
                 std::inserter(aromRings, aromRings.begin()));
     }  // end check huckel rule
-  }    // end while(1)
+  }  // end while(1)
   narom += rdcast<int>(aromRings.size());
 }
 
@@ -682,6 +682,7 @@ int mdlAromaticityHelper(RWMol &mol, const VECT_INT_VECT &srings) {
   for (auto &sring : srings) {
     bool allAromatic = true;
     bool allDummy = true;
+
     for (auto firstIdx : sring) {
       const auto at = mol.getAtomWithIdx(firstIdx);
 
@@ -831,7 +832,6 @@ int aromaticityHelper(RWMol &mol, const VECT_INT_VECT &srings,
         (maxRingSize && ringSz > maxRingSize)) {
       continue;
     }
-
     bool allAromatic = true;
     bool allDummy = true;
     for (auto firstIdx : sring) {
diff --git a/Code/GraphMol/Bond.cpp b/Code/GraphMol/Bond.cpp
index ab5189413..c885bfb32 100644
--- a/Code/GraphMol/Bond.cpp
+++ b/Code/GraphMol/Bond.cpp
@@ -191,6 +191,8 @@ double Bond::getValenceContrib(const Atom *atom) const {
   if ((getBondType() == DATIVE || getBondType() == DATIVEONE) &&
       atom->getIdx() != getEndAtomIdx()) {
     res = 0.0;
+  } else if (getBondType() == HYDROGEN) {
+    res = 0.0;
   } else {
     res = getBondTypeAsDouble();
   }
diff --git a/Code/GraphMol/Bond.h b/Code/GraphMol/Bond.h
index d36644e30..87c0833f2 100644
--- a/Code/GraphMol/Bond.h
+++ b/Code/GraphMol/Bond.h
@@ -386,12 +386,16 @@ class RDKIT_GRAPHMOL_EXPORT Bond : public RDProps {
   void initBond();
 };
 
-inline bool isDative(const Bond &bond) {
-  auto bt = bond.getBondType();
+inline bool isDative(const Bond::BondType bt) {
   return bt == Bond::BondType::DATIVE || bt == Bond::BondType::DATIVEL ||
          bt == Bond::BondType::DATIVER || bt == Bond::BondType::DATIVEONE;
 }
 
+inline bool isDative(const Bond &bond) {
+  auto bt = bond.getBondType();
+  return isDative(bt);
+}
+
 inline bool canSetDoubleBondStereo(const Bond &bond) {
   auto bondType = bond.getBondType();
   return (bondType == Bond::SINGLE || bondType == Bond::AROMATIC ||
diff --git a/Code/GraphMol/CMakeLists.txt b/Code/GraphMol/CMakeLists.txt
index 6c78ef0f6..a08a9775a 100644
--- a/Code/GraphMol/CMakeLists.txt
+++ b/Code/GraphMol/CMakeLists.txt
@@ -8,7 +8,7 @@ rdkit_library(GraphMol
         Renumber.cpp AdjustQuery.cpp Resonance.cpp StereoGroup.cpp
         new_canon.cpp SubstanceGroup.cpp FindStereo.cpp MonomerInfo.cpp
         NontetrahedralStereo.cpp Atropisomers.cpp
-        WedgeBonds.cpp MolProps.cpp
+        WedgeBonds.cpp MolProps.cpp 
         SHARED
         LINK_LIBRARIES RDGeometryLib RDGeneral)
 target_compile_definitions(GraphMol PRIVATE RDKIT_GRAPHMOL_BUILD)
diff --git a/Code/GraphMol/FileParsers/CMakeLists.txt b/Code/GraphMol/FileParsers/CMakeLists.txt
index 6b654d04d..114ce9691 100644
--- a/Code/GraphMol/FileParsers/CMakeLists.txt
+++ b/Code/GraphMol/FileParsers/CMakeLists.txt
@@ -5,7 +5,8 @@ endif()
 
 rdkit_library(FileParsers
     CDXMLParser.cpp
-    Mol2FileParser.cpp MolFileParser.cpp
+    Mol2FileParser.cpp MolFileParser.cpp 
+    SCSRMolFileParser.cpp
     MolSGroupParsing.cpp MolSGroupWriting.cpp
     MolFileStereochem.cpp MolFileWriter.cpp
     ForwardSDMolSupplier.cpp SDMolSupplier.cpp SDWriter.cpp
@@ -23,7 +24,7 @@ rdkit_library(FileParsers
     MultithreadedMolSupplier.cpp
     MultithreadedSmilesMolSupplier.cpp
     MultithreadedSDMolSupplier.cpp
-    LINK_LIBRARIES GenericGroups Depictor SmilesParse ChemTransforms GraphMol ${RDK_MAEPARSER_LIBS})
+    LINK_LIBRARIES GenericGroups Depictor SmilesParse ChemTransforms GraphMol SubstructMatch ${RDK_MAEPARSER_LIBS})
 target_compile_definitions(FileParsers PRIVATE RDKIT_FILEPARSERS_BUILD)
 
 rdkit_headers(CDXMLParser.h
@@ -75,6 +76,9 @@ rdkit_test(testExtendedStereoParsing testExtendedStereoParsing.cpp
 rdkit_catch_test(fileParsersCatchTest file_parsers_catch.cpp
     LINK_LIBRARIES FileParsers)
 
+rdkit_catch_test(macromolsCatchTest macromols_catch.cpp
+    LINK_LIBRARIES FileParsers)
+
 rdkit_catch_test(testPropertyLists testPropertyLists.cpp
     LINK_LIBRARIES FileParsers)
 
diff --git a/Code/GraphMol/FileParsers/FileParserUtils.h b/Code/GraphMol/FileParsers/FileParserUtils.h
index 45b7e717b..d15d027db 100644
--- a/Code/GraphMol/FileParsers/FileParserUtils.h
+++ b/Code/GraphMol/FileParsers/FileParserUtils.h
@@ -83,7 +83,8 @@ RDKIT_FILEPARSERS_EXPORT std::string getV3000Line(std::istream *inStream,
 RDKIT_FILEPARSERS_EXPORT bool ParseV3000CTAB(
     std::istream *inStream, unsigned int &line, RWMol *mol, Conformer *&conf,
     bool &chiralityPossible, unsigned int &nAtoms, unsigned int &nBonds,
-    bool strictParsing = true, bool expectMEND = true);
+    bool strictParsing = true, bool expectMEND = true,
+    bool expectMacroAtoms = false);
 
 // nAtoms and nBonds are used
 RDKIT_FILEPARSERS_EXPORT bool ParseV2000CTAB(
diff --git a/Code/GraphMol/FileParsers/FileParsers.h b/Code/GraphMol/FileParsers/FileParsers.h
index 9ef2c7405..750da9f82 100644
--- a/Code/GraphMol/FileParsers/FileParsers.h
+++ b/Code/GraphMol/FileParsers/FileParsers.h
@@ -52,6 +52,38 @@ struct RDKIT_FILEPARSERS_EXPORT MolFileParserParams {
                                 correctness of the contents. */
   bool expandAttachmentPoints =
       false; /**< toggle conversion of attachment points into dummy atoms */
+  bool parsingSCSRMol = false; /**< if true, we are parsing a SCSR mol file */
+};
+enum class SCSRTemplateNames {
+  AsEntered,     //<! use the name of the temlate as entered in the SCSR Mol
+  UseFirstName,  //<!Use the first name in the template
+                 // def (For AA, the 3 letter code
+  UseSecondName  //<!use the second name in the tempate def (
+                 // For AA, the 1 letter code)
+};
+
+enum class SCSRBaseHbondOptions {
+  Ignore,     //<! Do not include base Hbonds in expanded output
+  UseSapAll,  //<!use all hbonds defined in SAPs
+              // can be more than one per base
+  UseSapOne,  //<!use only one SAP hbond per base
+              // If multiple SAPs are defined, use the first
+              // even if it is not the best
+              //(this just maintains the relationship between
+              // the to base pairs)
+  Auto        //<!For bases that are C,G,A,T,U,In (and
+              // derivatives) use the standard Watson-Crick
+              // Hbonding.  No SAPs need to be defined, and if
+              // defined, they are ignored.
+};
+
+struct RDKIT_FILEPARSERS_EXPORT MolFromSCSRParams {
+  bool includeLeavingGroups =
+      true; /**< when true, leaving groups on atoms that are not exo-bonded are
+                retained.  When false, no leaving groups are retained */
+  SCSRTemplateNames scsrTemplateNames = SCSRTemplateNames::AsEntered;
+
+  SCSRBaseHbondOptions scsrBaseHbondOptions = SCSRBaseHbondOptions::UseSapAll;
 };
 RDKIT_FILEPARSERS_EXPORT std::unique_ptr<RWMol> MolFromMolDataStream(
     std::istream &inStream, unsigned int &line,
@@ -63,6 +95,19 @@ RDKIT_FILEPARSERS_EXPORT std::unique_ptr<RWMol> MolFromMolFile(
     const std::string &fName,
     const MolFileParserParams &params = MolFileParserParams());
 
+RDKIT_FILEPARSERS_EXPORT std::unique_ptr<RDKit::RWMol> MolFromSCSRDataStream(
+    std::istream &inStream, unsigned int &line,
+    const MolFileParserParams &molFileParserParams = MolFileParserParams(),
+    const MolFromSCSRParams &molFromSCSRParams = MolFromSCSRParams());
+RDKIT_FILEPARSERS_EXPORT std::unique_ptr<RDKit::RWMol> MolFromSCSRBlock(
+    const std::string &molBlock,
+    const MolFileParserParams &molFileParserParams = MolFileParserParams(),
+    const MolFromSCSRParams &molFromSCSRParams = MolFromSCSRParams());
+RDKIT_FILEPARSERS_EXPORT std::unique_ptr<RDKit::RWMol> MolFromSCSRFile(
+    const std::string &fName,
+    const MolFileParserParams &molFileParserParams = MolFileParserParams(),
+    const MolFromSCSRParams &molFromSCSRParams = MolFromSCSRParams());
+
 }  // namespace FileParsers
 }  // namespace v2
 
diff --git a/Code/GraphMol/FileParsers/MolFileParser.cpp b/Code/GraphMol/FileParsers/MolFileParser.cpp
index fb741d70b..9cf376947 100644
--- a/Code/GraphMol/FileParsers/MolFileParser.cpp
+++ b/Code/GraphMol/FileParsers/MolFileParser.cpp
@@ -1382,8 +1382,12 @@ void setRGPProps(const std::string_view symb, Atom *res) {
 
 void lookupAtomicNumber(Atom *res, const std::string &symb,
                         bool strictParsing) {
+  std::string tCopy(symb);
+  if (symb.size() == 2 && symb[1] >= 'A' && symb[1] <= 'Z') {
+    tCopy[1] = static_cast<char>(tolower(symb[1]));
+  }
   try {
-    res->setAtomicNum(PeriodicTable::getTable()->getAtomicNumber(symb));
+    res->setAtomicNum(PeriodicTable::getTable()->getAtomicNumber(tCopy));
   } catch (const Invar::Invariant &e) {
     if (strictParsing || symb.empty()) {
       throw FileParseException(e.what());
@@ -1510,9 +1514,6 @@ Atom *ParseMolFileAtomLine(const std::string_view text, RDGeom::Point3D &pos,
     res.reset(new QueryAtom(0));
     res->setProp(common_properties::atomLabel, std::string(symb));
   } else {
-    if (symb.size() == 2 && symb[1] >= 'A' && symb[1] <= 'Z') {
-      symb[1] = static_cast<char>(tolower(symb[1]));
-    }
     lookupAtomicNumber(res.get(), symb, strictParsing);
   }
 
@@ -2182,9 +2183,6 @@ Atom *ParseV3000AtomSymbol(std::string_view token, unsigned int &line,
       res->setProp(common_properties::atomLabel, std::string(token));
     } else {
       std::string tcopy(token);
-      if (token.size() == 2 && token[1] >= 'A' && token[1] <= 'Z') {
-        tcopy[1] = static_cast<char>(tolower(token[1]));
-      }
       res.reset(new Atom(0));
       lookupAtomicNumber(res.get(), tcopy, strictParsing);
     }
@@ -2381,7 +2379,45 @@ void ParseV3000AtomProps(RWMol *mol, Atom *&atom, typename T::iterator &token,
         }
       }
     } else if (prop == "ATTCHORD") {
-      if (val != "0") {
+      // there are two kinds of ATTCHORD
+      // one is for template instances and looks like this: ATTCHORD=(4 1 Al 3
+      // Br)
+
+      if (val.substr(0, 1) == "(") {
+        // this is a template instance
+
+        val = val.substr(1, val.size() - 2);
+        std::vector<std::string> splitToken;
+        boost::split(splitToken, val, boost::is_any_of(" \t"));
+
+        unsigned int itemCount = 0;
+        if (splitToken.size() > 0) {
+          itemCount = FileParserUtils::toInt(splitToken[0]);
+        }
+
+        if (itemCount == 0 || itemCount % 2 != 0 ||
+            splitToken.size() != itemCount + 1) {
+          errout << "Invalid ATTCHORD value: '" << val << "' for atom "
+                 << atom->getIdx() + 1 << " on line " << line << std::endl;
+          throw FileParseException(errout.str());
+        }
+        std::vector<std::pair<unsigned int, std::string>> attchOrds;
+        for (unsigned int i = 1; i < itemCount; i += 2) {
+          unsigned int idx = FileParserUtils::toInt(splitToken[i]);
+          // check for uniqueness
+          for (const auto &[aidx, lbl] : attchOrds) {
+            if (idx == aidx + 1 || splitToken[i + 1] == lbl) {
+              errout << "Invalid ATTCHORD value: '" << val << "' for atom "
+                     << atom->getIdx() + 1 << " on line " << line << std::endl;
+
+              throw FileParseException(errout.str());
+            }
+          }
+          attchOrds.emplace_back(idx - 1, splitToken[i + 1]);
+        }
+        atom->setProp(common_properties::molAttachOrderTemplate, attchOrds);
+      } else {
+        // this is a normal ATTCHORD
         auto ival = FileParserUtils::toInt(val);
         atom->setProp(common_properties::molAttachOrder, ival);
       }
@@ -2483,7 +2519,7 @@ bool calculate3dFlag(const RWMol &mol, const Conformer &conf,
 
 void ParseV3000AtomBlock(std::istream *inStream, unsigned int &line,
                          unsigned int nAtoms, RWMol *mol, Conformer *conf,
-                         bool strictParsing) {
+                         bool strictParsing, bool expectMacroAtoms) {
   PRECONDITION(inStream, "bad stream");
   PRECONDITION(nAtoms > 0, "bad atom count");
   PRECONDITION(mol, "bad molecule");
@@ -2523,7 +2559,35 @@ void ParseV3000AtomBlock(std::istream *inStream, unsigned int &line,
       errout << "Bad atom line : '" << tempStr << "' on line " << line;
       throw FileParseException(errout.str());
     }
-    Atom *atom = ParseV3000AtomSymbol(*token, line, strictParsing);
+
+    // before we parse the symbol, we need to know if the atom has a class attr.
+    // if it does, it is a macro atom reference, and we do not need to parse the
+    // symbol.  (the single letter codes can be the same as element sysmbols or
+    // special query names)
+
+    auto isMacroAtom = false;
+    if (expectMacroAtoms) {
+      auto lookAheadToken = token + 1;
+      while (lookAheadToken != tokens.end()) {
+        std::string prop;
+        std::string_view val;
+        if (splitAssignToken(*lookAheadToken, prop, val) && prop == "CLASS") {
+          isMacroAtom = true;
+          break;
+        }
+        ++lookAheadToken;
+      }
+    }
+
+    Atom *atom = nullptr;
+    if (isMacroAtom) {
+      atom = new Atom(0);
+      atom->setAtomicNum(0);
+      std::string tcopy(*token);
+      atom->setProp(common_properties::dummyLabel, tcopy);
+    } else {
+      atom = ParseV3000AtomSymbol(*token, line, strictParsing);
+    }
 
     // now the position;
     RDGeom::Point3D pos;
@@ -3118,7 +3182,8 @@ namespace FileParserUtils {
 bool ParseV3000CTAB(std::istream *inStream, unsigned int &line, RWMol *mol,
                     Conformer *&conf, bool &chiralityPossible,
                     unsigned int &nAtoms, unsigned int &nBonds,
-                    bool strictParsing, bool expectMEND) {
+                    bool strictParsing, bool expectMEND,
+                    bool expectMacroAtoms) {
   PRECONDITION(inStream, "bad stream");
   PRECONDITION(mol, "bad molecule");
 
@@ -3171,7 +3236,8 @@ bool ParseV3000CTAB(std::istream *inStream, unsigned int &line, RWMol *mol,
   mol->setProp(common_properties::_MolFileChiralFlag, chiralFlag);
 
   if (nAtoms) {
-    ParseV3000AtomBlock(inStream, line, nAtoms, mol, conf, strictParsing);
+    ParseV3000AtomBlock(inStream, line, nAtoms, mol, conf, strictParsing,
+                        expectMacroAtoms);
   }
   if (nBonds) {
     ParseV3000BondBlock(inStream, line, nBonds, mol, chiralityPossible);
@@ -3195,37 +3261,85 @@ bool ParseV3000CTAB(std::istream *inStream, unsigned int &line, RWMol *mol,
     tempStr = getV3000Line(inStream, line);
   }
 
-  if (nSgroups) {
-    boost::to_upper(tempStr);
-    if (tempStr.length() < 12 || tempStr.substr(0, 12) != "BEGIN SGROUP") {
-      std::ostringstream errout;
-      errout << "BEGIN SGROUP line not found on line " << line;
-      if (strictParsing) {
-        throw FileParseException(errout.str());
-      } else {
-        BOOST_LOG(rdWarningLog) << errout.str() << std::endl;
-      }
-    } else {
-      tempStr =
-          ParseV3000SGroupsBlock(inStream, line, nSgroups, mol, strictParsing);
-      boost::to_upper(tempStr);
-      if (tempStr.length() < 10 || tempStr.substr(0, 10) != "END SGROUP") {
+  bool sgroupFound = false;
+  bool obj3dFound = false;
+  boost::to_upper(tempStr);
+  while (tempStr.length() > 5 && tempStr.substr(0, 5) == "BEGIN") {
+    if (tempStr.length() >= 12 && tempStr.substr(0, 12) == "BEGIN SGROUP") {
+      if (sgroupFound) {
         std::ostringstream errout;
-        errout << "END SGROUP line not found on line " << line;
+        errout << "BEGIN SGROUP found more than once on line " << line;
+        throw FileParseException(errout.str());
+
+      } else if (!nSgroups) {
+        std::ostringstream errout;
+        errout << "BEGIN SGROUP  found but Sgroups NOT expected on line "
+               << line;
         if (strictParsing) {
           throw FileParseException(errout.str());
         } else {
           BOOST_LOG(rdWarningLog) << errout.str() << std::endl;
         }
       } else {
+        sgroupFound = true;
+        tempStr = ParseV3000SGroupsBlock(inStream, line, nSgroups, mol,
+                                         strictParsing);
+        boost::to_upper(tempStr);
+        if (tempStr.length() < 10 || tempStr.substr(0, 10) != "END SGROUP") {
+          std::ostringstream errout;
+          errout << "END SGROUP line not found on line " << line;
+          if (strictParsing) {
+            throw FileParseException(errout.str());
+          } else {
+            BOOST_LOG(rdWarningLog) << errout.str() << std::endl;
+          }
+        } else {
+          tempStr = getV3000Line(inStream, line);
+          boost::to_upper(tempStr);
+        }
+      }
+
+    } else if (tempStr.length() >= 15 &&
+               tempStr.substr(6, 10) == "COLLECTION") {
+      tempStr = parseEnhancedStereo(inStream, line, mol);
+      boost::to_upper(tempStr);
+    } else if (tempStr.length() >= 11 &&
+               tempStr.substr(0, 11) == "BEGIN OBJ3D") {
+      if (obj3dFound) {
+        std::ostringstream errout;
+        errout << "BEGIN OBJ3D found more than once on line " << line;
+        throw FileParseException(errout.str());
+      }
+      if (!n3DConstraints) {
+        std::ostringstream errout;
+        errout << "BEGIN OBJ3D found but 3n3DConstraints NOT expected on line "
+               << line;
+        if (strictParsing) {
+          throw FileParseException(errout.str());
+        } else {
+          BOOST_LOG(rdWarningLog) << errout.str() << std::endl;
+        }
+      }
+      BOOST_LOG(rdWarningLog)
+          << "3D constraint information in mol block ignored at line " << line
+          << std::endl;
+      obj3dFound = true;
+      for (unsigned int i = 0; i < n3DConstraints; ++i) {
         tempStr = getV3000Line(inStream, line);
       }
-    }
-  }
-
-  while (tempStr.length() > 5 && tempStr.substr(0, 5) == "BEGIN") {
-    if (tempStr.length() > 15 && tempStr.substr(6, 10) == "COLLECTION") {
-      tempStr = parseEnhancedStereo(inStream, line, mol);
+      tempStr = getV3000Line(inStream, line);
+      boost::to_upper(tempStr);
+      if (tempStr.length() < 9 || tempStr.substr(0, 9) != "END OBJ3D") {
+        std::ostringstream errout;
+        errout << "END OBJ3D line not found on line " << line;
+        if (strictParsing) {
+          throw FileParseException(errout.str());
+        } else {
+          BOOST_LOG(rdWarningLog) << errout.str() << std::endl;
+        }
+      }
+      tempStr = getV3000Line(inStream, line);
+      boost::to_upper(tempStr);
     } else {
       // skip blocks we don't know how to read
       BOOST_LOG(rdWarningLog) << "skipping block at line " << line << ": '"
@@ -3234,38 +3348,27 @@ bool ParseV3000CTAB(std::istream *inStream, unsigned int &line, RWMol *mol,
         tempStr = getV3000Line(inStream, line);
       }
       tempStr = getV3000Line(inStream, line);
+      boost::to_upper(tempStr);
     }
   }
 
-  if (n3DConstraints) {
-    BOOST_LOG(rdWarningLog)
-        << "3D constraint information in mol block ignored at line " << line
-        << std::endl;
-    boost::to_upper(tempStr);
-    if (tempStr.length() < 11 || tempStr.substr(0, 11) != "BEGIN OBJ3D") {
-      std::ostringstream errout;
-      errout << "BEGIN OBJ3D line not found on line " << line;
-      if (strictParsing) {
-        throw FileParseException(errout.str());
-      } else {
-        BOOST_LOG(rdWarningLog) << errout.str() << std::endl;
-      }
-    }
-    for (unsigned int i = 0; i < n3DConstraints; ++i) {
-      tempStr = getV3000Line(inStream, line);
-    }
-    tempStr = getV3000Line(inStream, line);
-    boost::to_upper(tempStr);
-    if (tempStr.length() < 9 || tempStr.substr(0, 9) != "END OBJ3D") {
-      std::ostringstream errout;
-      errout << "END OBJ3D line not found on line " << line;
-      if (strictParsing) {
-        throw FileParseException(errout.str());
-      } else {
-        BOOST_LOG(rdWarningLog) << errout.str() << std::endl;
-      }
+  if (nSgroups && !sgroupFound) {
+    std::ostringstream errout;
+    errout << "BEGIN SGROUP line not found on line " << line;
+    if (strictParsing) {
+      throw FileParseException(errout.str());
     } else {
-      tempStr = getV3000Line(inStream, line);
+      BOOST_LOG(rdWarningLog) << errout.str() << std::endl;
+    }
+  }
+
+  if (n3DConstraints && !obj3dFound) {
+    std::ostringstream errout;
+    errout << "BEGIN OBJ3D line not found on line " << line;
+    if (strictParsing) {
+      throw FileParseException(errout.str());
+    } else {
+      BOOST_LOG(rdWarningLog) << errout.str() << std::endl;
     }
   }
 
@@ -3537,6 +3640,10 @@ std::unique_ptr<RWMol> MolFromMolDataStream(std::istream &inStream,
       } else {
         BOOST_LOG(rdWarningLog) << errout.str() << std::endl;
       }
+    } else if (params.parsingSCSRMol) {
+      std::ostringstream errout;
+      errout << "SCSR Mol files is not V3000 at line" << line;
+      throw FileParseException(errout.str());
     }
   }
 
@@ -3560,9 +3667,17 @@ std::unique_ptr<RWMol> MolFromMolDataStream(std::istream &inStream,
           BOOST_LOG(rdWarningLog) << errout.str() << std::endl;
         }
       }
+
+      auto expectMEND = true;
+      auto expectMacroAtoms = false;
+      if (params.parsingSCSRMol) {
+        expectMEND = false;
+        expectMacroAtoms = true;
+      }
+
       fileComplete = FileParserUtils::ParseV3000CTAB(
           &inStream, line, res.get(), conf, chiralityPossible, nAtoms, nBonds,
-          params.strictParsing);
+          params.strictParsing, expectMEND, expectMacroAtoms);
     }
   } catch (MolFileUnhandledFeatureException &e) {
     // unhandled mol file feature, show an error
diff --git a/Code/GraphMol/FileParsers/MolSGroupParsing.cpp b/Code/GraphMol/FileParsers/MolSGroupParsing.cpp
index 330387b45..ed16a256a 100644
--- a/Code/GraphMol/FileParsers/MolSGroupParsing.cpp
+++ b/Code/GraphMol/FileParsers/MolSGroupParsing.cpp
@@ -267,7 +267,7 @@ void ParseSGroupV2000SDILine(IDX_TO_SGROUP_MAP &sGroupMap, RWMol *mol,
 }
 
 void ParseSGroupV2000SSTLine(IDX_TO_SGROUP_MAP &sGroupMap, RWMol *mol,
-                             const std::string &text, unsigned int line,
+                             const std::string &text, unsigned int &line,
                              bool strictParsing) {
   PRECONDITION(mol, "bad mol");
   PRECONDITION(text.substr(0, 6) == "M  SST", "bad SST line");
@@ -315,7 +315,7 @@ void ParseSGroupV2000SSTLine(IDX_TO_SGROUP_MAP &sGroupMap, RWMol *mol,
 }
 
 void ParseSGroupV2000SMTLine(IDX_TO_SGROUP_MAP &sGroupMap, RWMol *mol,
-                             const std::string &text, unsigned int line,
+                             const std::string &text, unsigned int &line,
                              bool strictParsing) {
   PRECONDITION(mol, "bad mol");
   PRECONDITION(text.substr(0, 6) == "M  SMT", "bad SMT line");
@@ -1177,7 +1177,14 @@ void ParseV3000ParseLabel(const std::string &label,
         errout << "Unsupported SGroup connection type '" << strValue
                << "' on line " << line;
         throw FileParseException(errout.str());
+      } else if (label == "CLASS" &&
+                 !SubstanceGroupChecks::isValidClass(strValue)) {
+        std::ostringstream errout;
+        errout << "Unsupported SGroup template class '" << strValue
+               << "' on line " << line;
+        throw FileParseException(errout.str());
       }
+      // NATREPLACE is not validated nor used
 
       sgroup.setProp(label, strValue);
     }
@@ -1188,7 +1195,7 @@ void ParseV3000ParseLabel(const std::string &label,
   }
 }
 
-std::string ParseV3000SGroupsBlock(std::istream *inStream, unsigned int line,
+std::string ParseV3000SGroupsBlock(std::istream *inStream, unsigned int &line,
                                    unsigned int nSgroups, RWMol *mol,
                                    bool strictParsing) {
   PRECONDITION(inStream, "no stream");
diff --git a/Code/GraphMol/FileParsers/MolSGroupParsing.h b/Code/GraphMol/FileParsers/MolSGroupParsing.h
index 4f683a066..86caffe14 100644
--- a/Code/GraphMol/FileParsers/MolSGroupParsing.h
+++ b/Code/GraphMol/FileParsers/MolSGroupParsing.h
@@ -63,11 +63,11 @@ void ParseSGroupV2000SDILine(IDX_TO_SGROUP_MAP &sGroupMap, RWMol *mol,
                              bool strictParsing = true);
 
 void ParseSGroupV2000SSTLine(IDX_TO_SGROUP_MAP &sGroupMap, RWMol *mol,
-                             const std::string &text, unsigned int line,
+                             const std::string &text, unsigned int &line,
                              bool strictParsing = true);
 
 void ParseSGroupV2000SMTLine(IDX_TO_SGROUP_MAP &sGroupMap, RWMol *mol,
-                             const std::string &text, unsigned int line,
+                             const std::string &text, unsigned int &line,
                              bool strictParsing = true);
 
 void ParseSGroupV2000SLBLine(IDX_TO_SGROUP_MAP &sGroupMap, RWMol *mol,
@@ -154,7 +154,7 @@ void ParseV3000SAPLabel(RWMol *mol, SubstanceGroup &sgroup,
 std::string ParseV3000StringPropLabel(std::stringstream &stream);
 
 // returns the last line read in the SGroups block
-std::string ParseV3000SGroupsBlock(std::istream *inStream, unsigned int line,
+std::string ParseV3000SGroupsBlock(std::istream *inStream, unsigned int &line,
                                    unsigned int nSgroups, RWMol *mol,
                                    bool strictParsing);
 
diff --git a/Code/GraphMol/FileParsers/SCSRMolFileParser.cpp b/Code/GraphMol/FileParsers/SCSRMolFileParser.cpp
new file mode 100644
index 000000000..2899b6991
--- /dev/null
+++ b/Code/GraphMol/FileParsers/SCSRMolFileParser.cpp
@@ -0,0 +1,1319 @@
+//
+//  Copyright (C) 2024 Tad Hurst and other RDKit contributors
+//
+//   @@ All Rights Reserved @@
+//  This file is part of the RDKit.
+//  The contents are covered by the terms of the BSD license
+//  which is included in the file license.txt, found at the root
+//  of the RDKit source tree.
+//
+
+#include "FileParserUtils.h"
+#include "MolSGroupParsing.h"
+#include <RDGeneral/StreamOps.h>
+#include <GraphMol/SmilesParse/SmilesParse.h>
+#include <GraphMol/Substruct/SubstructMatch.h>
+
+#include <RDGeneral/FileParseException.h>
+#include <RDGeneral/BadFileException.h>
+
+using namespace RDKit::SGroupParsing;
+
+namespace RDKit {
+
+namespace v2 {
+namespace FileParsers {
+
+class SCSRMol {
+ private:
+  std::unique_ptr<ROMol> p_mol;
+  std::vector<std::unique_ptr<ROMol>> p_templates;
+
+ public:
+  SCSRMol() {};
+  SCSRMol(const SCSRMol &other) = delete;
+  SCSRMol(SCSRMol &&other) noexcept = delete;
+  SCSRMol &operator=(SCSRMol &&other) noexcept = delete;
+
+  SCSRMol &operator=(const SCSRMol &) = delete;  // disable assignment
+  ~SCSRMol() {}
+
+  void addTemplate(std::unique_ptr<ROMol> templateMol) {
+    PRECONDITION(templateMol, "bad template molecule");
+    p_templates.push_back(std::move(templateMol));
+  }
+
+  unsigned int getTemplateCount() const { return p_templates.size(); }
+
+  ROMol *getTemplate(unsigned int index) { return p_templates[index].get(); };
+
+  const ROMol *getMol() const { return p_mol.get(); }
+
+  ROMol *getMol() { return p_mol.get(); }
+
+  void setMol(std::unique_ptr<ROMol> mol) {
+    PRECONDITION(mol, "bad molecule");
+    p_mol = std::move(mol);
+  }
+};
+
+//------------------------------------------------
+//
+//  Read a SCVSR molecule from a stream
+//
+//------------------------------------------------
+static std::unique_ptr<SCSRMol> SCSRMolFromSCSRDataStream(
+    std::istream &inStream, unsigned int &line,
+    const RDKit::v2::FileParsers::MolFileParserParams &params) {
+  bool chiralityPossible = false;
+  if (inStream.eof()) {
+    return nullptr;
+  }
+  auto res = std::unique_ptr<SCSRMol>(new SCSRMol());
+  auto localParams = params;
+  localParams.parsingSCSRMol = true;
+  res->setMol(RDKit::v2::FileParsers::MolFromMolDataStream(inStream, line,
+                                                           localParams));
+
+  // now get all of the templates
+
+  auto tempStr = FileParserUtils::getV3000Line(&inStream, line);
+
+  if (tempStr != "BEGIN TEMPLATE") {
+    std::ostringstream errout;
+    errout << "BEGIN TEMPLATE not found at line  " << line;
+    throw FileParseException(errout.str());
+  }
+  tempStr = FileParserUtils::getV3000Line(&inStream, line);
+
+  // TEMPLATE 1 AA/Cya/Cya/ NATREPLACE=AA/A
+  while (tempStr.substr(0, 8) == "TEMPLATE") {
+    std::vector<std::string> tokens;
+    boost::algorithm::split(tokens, tempStr, boost::algorithm::is_space());
+
+    std::string natReplace = "";
+    if (tokens.size() == 4) {
+      if (tokens[3].size() < 12 || tokens[3].substr(0, 11) != "NATREPLACE=") {
+        std::ostringstream errout;
+        errout << "Bad NATREPLACE entry at line  " << line;
+        throw FileParseException(errout.str());
+      }
+      natReplace = tokens[3].substr(12);
+    } else if (tokens.size() != 3) {
+      std::ostringstream errout;
+      errout << "Bad TEMPLATE at line  " << line;
+      throw FileParseException(errout.str());
+    }
+    boost::algorithm::split(tokens, tokens[2],
+                            boost::algorithm::is_any_of("/"));
+    if (tokens.size() < 3) {
+      std::ostringstream errout;
+      errout << "Type/Name(s) string is not of the form \"AA/Gly/G/\" at line  "
+             << line;
+      throw FileParseException(errout.str());
+    }
+
+    res->addTemplate(std::unique_ptr<ROMol>(new ROMol()));
+    auto templateMol = (RWMol *)res->getTemplate(res->getTemplateCount() - 1);
+
+    templateMol->setProp(common_properties::natReplace, natReplace);
+    templateMol->setProp(common_properties::molAtomClass, tokens[0]);
+
+    std::vector<std::string> templateNames;
+    for (unsigned int i = 1; i < tokens.size(); ++i) {
+      if (tokens[i] != "") {
+        templateNames.push_back(tokens[i]);
+      }
+    }
+
+    templateMol->setProp(common_properties::templateNames, templateNames);
+    auto molComplete = false;
+    Conformer *conf = nullptr;
+    try {
+      unsigned int nAtoms = 0, nBonds = 0;
+      bool expectMEND = false;
+      molComplete = FileParserUtils::ParseV3000CTAB(
+          &inStream, line, templateMol, conf, chiralityPossible, nAtoms, nBonds,
+          params.strictParsing, expectMEND);
+    } catch (MolFileUnhandledFeatureException &e) {
+      // unhandled mol file feature, show an error
+      res.reset();
+      delete conf;
+      conf = nullptr;
+      BOOST_LOG(rdErrorLog) << " Unhandled CTAB feature: '" << e.what()
+                            << "'. Molecule skipped." << std::endl;
+
+      if (!inStream.eof()) {
+        tempStr = getLine(inStream);
+      }
+      ++line;
+      while (!inStream.eof() && !inStream.fail() &&
+             tempStr.substr(0, 6) != "M  END" &&
+             tempStr.substr(0, 4) != "$$$$") {
+        tempStr = getLine(inStream);
+        ++line;
+      }
+      molComplete = !inStream.eof() || tempStr.substr(0, 6) == "M  END" ||
+                    tempStr.substr(0, 4) == "$$$$";
+    } catch (FileParseException &e) {
+      // catch our exceptions and throw them back after cleanup
+      delete conf;
+      conf = nullptr;
+      throw e;
+    }
+
+    if (!molComplete) {
+      delete conf;
+      conf = nullptr;
+      std::ostringstream errout;
+      errout
+          << "Problems encountered parsing Mol data, M  END or BEGIN TEMPLATE missing around line "
+          << line;
+      throw FileParseException(errout.str());
+    }
+
+    if (templateMol) {
+      auto tempParams = params;
+      tempParams.sanitize = false;
+      tempParams.removeHs = false;
+      FileParserUtils::finishMolProcessing(templateMol, chiralityPossible,
+                                           tempParams);
+    }
+
+    tempStr = FileParserUtils::getV3000Line(&inStream, line);
+  }
+
+  if (tempStr != "END TEMPLATE") {
+    std::ostringstream errout;
+    errout << "END TEMPLATE not found at line  " << line;
+    throw FileParseException(errout.str());
+  }
+
+  tempStr = getLine(inStream);
+  ++line;
+  if (tempStr.substr(0, 6) != "M  END") {
+    std::ostringstream errout;
+    errout << "M  END not found at line  " << line;
+    throw FileParseException(errout.str());
+  }
+
+  // now validate the templates to the main mol
+  // each atom in the mol that requires a template should match one,
+  // and the ATTCHORD entries of each main atom must be consistent
+  // with the template mol it matches.
+
+  unsigned int atomCount = res.get()->getMol()->getNumAtoms();
+  for (unsigned int atomIdx = 0; atomIdx < atomCount; ++atomIdx) {
+    auto atom = res->getMol()->getAtomWithIdx(atomIdx);
+
+    std::string dummyLabel = "";
+    std::string atomClass = "";
+    std::vector<std::pair<unsigned int, std::string>> attchOrds;
+    if (atom->hasProp(common_properties::dummyLabel)) {
+      dummyLabel = atom->getProp<std::string>(common_properties::dummyLabel);
+    }
+    if (atom->hasProp(common_properties::molAtomClass)) {
+      atomClass = atom->getProp<std::string>(common_properties::molAtomClass);
+    }
+    if (atom->hasProp(common_properties::molAttachOrderTemplate)) {
+      atom->getProp(common_properties::molAttachOrderTemplate, attchOrds);
+    }
+    if (dummyLabel != "" && atomClass != "") {
+      // find the template that matches the class and label
+
+      bool templateFound = false;
+      for (unsigned int templateIdx = 0;
+           !templateFound && templateIdx < res.get()->getTemplateCount();
+           ++templateIdx) {
+        auto templateMol = res->getTemplate(templateIdx);
+        if (templateMol->getProp<std::string>(
+                common_properties::molAtomClass) == atomClass) {
+          for (auto templateName :
+               templateMol->getProp<std::vector<std::string>>(
+                   common_properties::templateNames)) {
+            if (templateFound) {
+              break;
+            }
+            if (templateName != dummyLabel) {
+              continue;  // check next template name
+            }
+            // find the SUP group for the main connections (not leaving
+            // groups)
+
+            const RDKit::SubstanceGroup *mainSUP = nullptr;
+            for (auto &sgroup : RDKit::getSubstanceGroups(*templateMol)) {
+              if (sgroup.getProp<std::string>("TYPE") == "SUP" &&
+                  sgroup.getProp<std::string>("CLASS") == atomClass) {
+                mainSUP = &sgroup;
+                break;
+              }
+            }
+
+            if (mainSUP == nullptr) {
+              break;  // breaks out of the loop over template names - continues
+                      // to next template
+            }
+
+            // now check the ATTCHORD entries
+            templateFound = true;  // tentative - until some attachment point in
+                                   // the atom is not found in the template
+            for (const auto &attachOrd : attchOrds) {
+              auto supAttachPoints = mainSUP->getAttachPoints();
+              if (std::find_if(supAttachPoints.begin(), supAttachPoints.end(),
+                               [&attachOrd](auto a) {
+                                 return a.id == attachOrd.second;
+                               }) == supAttachPoints.end()) {
+                templateFound = false;
+                break;
+              }
+            }
+          }
+        }
+      }
+
+      if (!templateFound) {
+        std::ostringstream errout;
+        errout << "No template found for atom " << atom->getIdx() << " class "
+               << atomClass << " label " << dummyLabel;
+        throw FileParseException(errout.str());
+      }
+    }
+  }
+
+  return res;
+}
+
+//------------------------------------------------
+//
+//  Read a molecule from a string
+//
+//------------------------------------------------
+static std::unique_ptr<SCSRMol> SCSRMolFromSCSRBlock(
+    const std::string &molBlock,
+    const RDKit::v2::FileParsers::MolFileParserParams &params) {
+  std::istringstream inStream(molBlock);
+  unsigned int line = 0;
+  return SCSRMolFromSCSRDataStream(inStream, line, params);
+}
+
+//------------------------------------------------
+//
+//  Read a molecule from a file
+//
+//------------------------------------------------
+static std::unique_ptr<SCSRMol> SCSRMolFromSCSRFile(
+    const std::string &fName, const MolFileParserParams &params) {
+  std::ifstream inStream(fName.c_str());
+  if (!inStream || (inStream.bad())) {
+    std::ostringstream errout;
+    errout << "Bad input file " << fName;
+    throw BadFileException(errout.str());
+  }
+  if (!inStream.eof()) {
+    unsigned int line = 0;
+    return SCSRMolFromSCSRDataStream(inStream, line, params);
+  } else {
+    return std::unique_ptr<SCSRMol>();
+  }
+}
+
+class MolFromSCSRMolConverter {
+ private:
+  class OriginAtomDef {
+   public:
+    OriginAtomDef(unsigned int mainAtomIdx, unsigned int templateAtomIdx)
+        : mainAtomIdx(mainAtomIdx), templateAtomIdx(templateAtomIdx) {}
+
+   private:
+    unsigned int mainAtomIdx;
+    unsigned int templateAtomIdx;
+
+   public:
+    bool operator<(const OriginAtomDef &other) const {
+      if (mainAtomIdx != other.mainAtomIdx) {
+        return mainAtomIdx < other.mainAtomIdx;
+      }
+      return templateAtomIdx < other.templateAtomIdx;
+    }
+  };
+
+  class OriginAtomConnection {
+   public:
+    OriginAtomConnection(unsigned int mainAtomIdx, std::string attachLabel)
+        : mainAtomIdx(mainAtomIdx), attachLabel(attachLabel) {}
+
+   private:
+    unsigned int mainAtomIdx;
+    std::string attachLabel;
+
+   public:
+    unsigned int getMainAtomIdx() const { return mainAtomIdx; }
+    std::string getAttachLabel() const { return attachLabel; }
+
+    bool operator<(const OriginAtomConnection &other) const {
+      if (mainAtomIdx != other.getMainAtomIdx()) {
+        return mainAtomIdx < other.mainAtomIdx;
+      }
+      return attachLabel < other.attachLabel;
+    }
+  };
+
+  struct HydrogenBondConnection {
+    unsigned int d_templateAtomIdx;
+    bool df_isDonor;
+
+    HydrogenBondConnection(unsigned int templateAtomIdx, bool isDonor)
+        : d_templateAtomIdx(templateAtomIdx), df_isDonor(isDonor) {}
+  };
+
+  struct HbondQueryData {
+    std::string d_smarts;
+    std::string d_name;
+    std::vector<HydrogenBondConnection> d_hBondConnections;
+    std::shared_ptr<ROMol> dp_mol;
+    HbondQueryData(const std::string &smarts, const std::string &name,
+                   std::vector<HydrogenBondConnection> hBondConnections)
+        : d_smarts(smarts),
+          d_name(name),
+          d_hBondConnections(hBondConnections),
+          dp_mol{SmartsToMol(smarts)} {}
+  };
+
+  SCSRMol *scsrMol;
+  std::unique_ptr<RWMol> resMol;
+  const ROMol *mol;
+  const MolFileParserParams molFileParserParams;
+  const MolFromSCSRParams molFromSCSRParams;
+
+  std::map<unsigned int, std::vector<HydrogenBondConnection>>
+      hBondSitesForTemplate;
+  std::map<unsigned int, unsigned int> atomIdxToTemplateIdx;
+
+  ROMol *atomIdxToTemplateMol(unsigned int atomIdx) {
+    return scsrMol->getTemplate(atomIdxToTemplateIdx[atomIdx]);
+  }
+
+  // maps main atom# and template atom# to new atom#
+  std::map<OriginAtomDef, unsigned int> originAtomMap;
+
+  // maps main atom# and attach label to template atom#
+  std::map<OriginAtomConnection, std::vector<unsigned int>> attachMap;
+
+  unsigned int getNewAtomForBond(const Atom *atom, unsigned int otherAtomIdx) {
+    std::string atomClass = "";
+    unsigned int atomIdx = atom->getIdx();
+    if (!atom->getPropIfPresent<std::string>(common_properties::molAtomClass,
+                                             atomClass)) {
+      return originAtomMap.at(OriginAtomDef(atomIdx, UINT_MAX));
+    }
+
+    // if here , it is a template atom
+    // this routine is NOT called for H-bonds, so there is only one atom to
+    // attach
+    std::vector<std::pair<unsigned int, std::string>> attchOrds;
+    atom->getProp(common_properties::molAttachOrderTemplate, attchOrds);
+    for (const auto &[idx, lbl] : attchOrds) {
+      if (idx == otherAtomIdx) {
+        auto attachMapIt = attachMap.find(OriginAtomConnection(atomIdx, lbl));
+        if (attachMapIt == attachMap.end() || attachMapIt->second.empty()) {
+          throw FileParseException("Attachment ord not found");
+        }
+        return originAtomMap.at(OriginAtomDef(atomIdx, attachMapIt->second[0]));
+      }
+    }
+
+    // error attachment ord not found
+    throw FileParseException("Attachment ord not found");
+  }
+
+  void getNewAtomsForHydrogenBond(
+      Atom *atom, unsigned int otherAtomIdx,
+      std::vector<HydrogenBondConnection> &hydrogenBondConnections) {
+    std::string atomClass = "";
+    unsigned int atomIdx = atom->getIdx();
+    auto templateMol = atomIdxToTemplateMol(atomIdx);
+    hydrogenBondConnections.clear();
+    if (!atom->getPropIfPresent<std::string>(common_properties::molAtomClass,
+                                             atomClass)) {
+      return;  // hatoms only allowed in templates
+    }
+
+    // if here , it is a template atom
+    // there could be more than one atom in the template that matches the atom
+    // for instance, the hydrogen bonds to the template can result in multiple
+    // hydrogen bonds in the expanded molecule
+
+    std::vector<std::pair<unsigned int, std::string>> attchOrds;
+    atom->getProp(common_properties::molAttachOrderTemplate, attchOrds);
+    for (const auto &[idx, lbl] : attchOrds) {
+      if (idx == otherAtomIdx) {
+        auto attachMapIt = attachMap.find(OriginAtomConnection(atomIdx, lbl));
+        if (attachMapIt == attachMap.end()) {
+          return;  // error, attachment ord not found
+        }
+
+        for (auto templateAtomIdx : attachMapIt->second) {
+          auto templateAtom = templateMol->getAtomWithIdx(templateAtomIdx);
+          templateAtom->updatePropertyCache();
+          auto isDonor = templateAtom->getTotalNumHs() > 0;
+          hydrogenBondConnections.emplace_back(templateAtomIdx, isDonor);
+          if (molFromSCSRParams.scsrBaseHbondOptions ==
+              SCSRBaseHbondOptions::UseSapOne) {
+            return;
+          }
+        }
+        return;
+      }
+    }
+
+    // error attachment ord not found
+    return;
+  }
+
+  void copySgroupIntoResult(
+      const unsigned int atomIdx, const RDKit::SubstanceGroup &sgroup,
+      std::string sgroupName,
+      std::vector<std::unique_ptr<SubstanceGroup>> &newSgroups,
+      RDKit::Conformer *newConf, const RDGeom::Point3D &coordOffset) {
+    // add a superatom sgroup to mark the atoms from this macro atom
+    // expansion. These new superatom sgroups are not put into the output mol
+    // yet, because the bonds have not be added to the mol nor to the sgroup.
+    // They are saved in an array to be added later
+
+    std::string typ = "SUP";
+    newSgroups.emplace_back(new SubstanceGroup((ROMol *)resMol.get(), typ));
+    auto newSgroup = newSgroups.back().get();
+    newSgroup->setProp("LABEL", sgroupName);
+
+    // copy the atoms of the sgroup into the new molecule
+
+    if (newConf) {
+      newConf->resize(newConf->getNumAtoms() +
+                      atomIdxToTemplateMol(atomIdx)->getNumAtoms());
+    }
+
+    for (auto templateAtomIdx : sgroup.getAtoms()) {
+      auto templateAtom =
+          atomIdxToTemplateMol(atomIdx)->getAtomWithIdx(templateAtomIdx);
+      auto newAtom = new Atom(*templateAtom);
+
+      resMol->addAtom(newAtom, true, true);
+      newSgroup->addAtomWithIdx(newAtom->getIdx());
+
+      originAtomMap[OriginAtomDef(atomIdx, templateAtomIdx)] =
+          newAtom->getIdx();
+
+      // atomMap[atomIdx].push_back(newAtom->getIdx());
+      if (newConf) {
+        newConf->setAtomPos(
+            newAtom->getIdx(),
+            coordOffset +
+                atomIdxToTemplateMol(atomIdx)->getConformer().getAtomPos(
+                    templateAtomIdx));
+      }
+    }
+  }
+
+  void addBond(const Bond::BondType bondType, unsigned int beginAtom,
+               unsigned int endAtom) {
+    auto newBond = new Bond(bondType);
+    newBond->setBeginAtomIdx(beginAtom);
+    newBond->setEndAtomIdx(endAtom);
+    // newBond->updateProps(*bond, false);
+    resMol->addBond(newBond, true);
+  }
+
+  void addBonds(const Bond::BondType bondType,
+                const unsigned int mainBeginAtomIdx,
+                const unsigned int mainEndAtomIdx,
+                const std::vector<HydrogenBondConnection> &beginAtoms,
+                const std::vector<HydrogenBondConnection> &endAtoms) {
+    for (unsigned int i = 0; i < beginAtoms.size(); i++) {
+      addBond(bondType,
+              originAtomMap[OriginAtomDef(mainBeginAtomIdx,
+                                          beginAtoms[i].d_templateAtomIdx)],
+              originAtomMap[OriginAtomDef(mainEndAtomIdx,
+                                          endAtoms[i].d_templateAtomIdx)]);
+    }
+  }
+
+  void processBondInMainMol(const Bond *bond) {
+    unsigned int newBeginAtom;
+    unsigned int newEndAtom;
+
+    if (bond->getBondType() != Bond::HYDROGEN) {
+      newBeginAtom =
+          getNewAtomForBond(bond->getBeginAtom(), bond->getEndAtomIdx());
+      if (newBeginAtom == UINT_MAX) {
+        throw FileParseException("Error getting new atom for bond");
+      }
+
+      newEndAtom =
+          getNewAtomForBond(bond->getEndAtom(), bond->getBeginAtomIdx());
+      if (newEndAtom == UINT_MAX) {
+        throw FileParseException("Error getting new atom for bond");
+      }
+
+      addBond(bond->getBondType(), newBeginAtom, newEndAtom);
+      return;
+    }
+
+    // if here it is a hydrogen bond
+
+    // the processing of H-bonds is contorlled by the SCSRBaseHbondOptions
+    // member of the SCSRMolFileParserParams parameter.  The options are:
+
+    //  Ignore - if this is selected, all H-bonds are
+    //  ignored and not processed.
+
+    // UseSapAll = 1,  // if this is selected, all SAPs
+    // for the hbond are used.  They must be defined in the template in the
+    // correct order, which starts with the first atom nearest the Al
+    // connection, and continues sequentially
+
+    // If there are 3 sites on eash side and they are complimentary (the
+    // donors match acceptors and vice versa), we add the bonds. and
+    // we are done.
+
+    // If not, we check to check to see if they comply to a wobble bond
+    // configuration. There are four generally accepted wobble bonds, and we
+    // deal with these four types only.  The four known wobble bonds are:
+    // 1.  I-C
+    // 2.  I-U
+    // 3.  I-A
+    // 4.  G-U
+    // "I" stands for inosine - it has only two available hbond sites . The
+    // pair G-U has three sites on each end, but they are not complimentary.
+    // (https://en.wikipedia.org/wiki/Wobble_base_pair#:~:text=A%20wobble%20base%20pair%20is,hypoxanthine%2Dcytosine%20(I%2DC).
+
+    // For pairs that have I or something like it, the configuration must be
+    // DA, so the two atoms form the two H bonds. The other side (C,U or A)
+    // has confiuration of AAD (C), ADA (U), or DAD (A). For C-type bases and
+    // A type bases, the second and third atoms are used (AD), and for U
+    // types, the first two atoms are used (AD).
+
+    // for the GU pair, both sides have 3 atoms, but they are not
+    // complimentary.  The second and third sites on the G side are used (DA),
+    // and the first two sites on the U side are used (AD).
+
+    // in any other case, we punt and add just one bond,  between the first
+    // atom on both sides even if they are NOT complemenary.  This just
+    // indicates that the sides are h-bonded somehow and keeps the overall
+    // pairing straight.
+
+    // UseSapOne
+    // if this is selected, use only one SAP hbond per base
+    // If multiple SAPs are defined, use the first
+    // even if it is not the best
+    //(this just maintains the relationship between
+    // the to base pairs)
+
+    // Auto
+    // For bases that are C,G,A,T,U,In (and
+    // derivatives) use the standard Watson-Crick
+    // Hbonding.  No SAPs need to be defined, and if
+    // defined, they are ignored.
+    // the definitions of the binding sites are determined by substructure
+    // matching
+
+    std::vector<HydrogenBondConnection> beginHatomConnections;
+    std::vector<HydrogenBondConnection> endHatomConnections;
+
+    if (molFromSCSRParams.scsrBaseHbondOptions ==
+        SCSRBaseHbondOptions::Ignore) {
+      return;
+    }
+    if (molFromSCSRParams.scsrBaseHbondOptions ==
+            SCSRBaseHbondOptions::UseSapAll ||
+        molFromSCSRParams.scsrBaseHbondOptions ==
+            SCSRBaseHbondOptions::UseSapOne) {
+      // get the hydrogen bond sites from the template SAPs
+      getNewAtomsForHydrogenBond(bond->getBeginAtom(), bond->getEndAtomIdx(),
+                                 beginHatomConnections);
+
+      if (beginHatomConnections.empty()) {
+        throw FileParseException("No Attach Point for bond");
+      }
+
+      getNewAtomsForHydrogenBond(bond->getEndAtom(), bond->getBeginAtomIdx(),
+                                 endHatomConnections);
+      if (endHatomConnections.empty()) {
+        throw FileParseException("No Attach Point for bond");
+      }
+    } else if (molFromSCSRParams.scsrBaseHbondOptions ==
+               SCSRBaseHbondOptions::Auto) {
+      // get the hbond sites from the map already created for each
+      // base template
+      auto templateIdx = atomIdxToTemplateIdx[bond->getBeginAtomIdx()];
+      beginHatomConnections = hBondSitesForTemplate[templateIdx];
+
+      templateIdx = atomIdxToTemplateIdx[bond->getEndAtomIdx()];
+      endHatomConnections = hBondSitesForTemplate[templateIdx];
+    }
+    unsigned int mainBeginAtomIdx = bond->getBeginAtomIdx();
+    unsigned int mainEndAtomIdx = bond->getEndAtomIdx();
+
+    if (beginHatomConnections.empty() || endHatomConnections.empty()) {
+      // no hydrogen bond sites found, so just add the bond between the
+      // first atoms on both sides
+      return;  // no hydrogen bond sites found, so skip the bond
+    }
+    if (beginHatomConnections.size() == 3 && endHatomConnections.size() == 3) {
+      // see if the two donor flag lists are
+      // complementary
+
+      bool complimentary = true;
+      for (auto index = 0; index < 3; ++index) {
+        // .second is the bool for donors
+        if (beginHatomConnections[index].df_isDonor ==
+            endHatomConnections[index].df_isDonor) {
+          complimentary = false;  // both are donors or both are
+                                  // acceptors
+          break;
+        }
+      }
+
+      if (complimentary) {
+        addBonds(bond->getBondType(), mainBeginAtomIdx, mainEndAtomIdx,
+                 beginHatomConnections, endHatomConnections);
+        return;
+      }
+
+      // Check for G-U type pairs in a wobble bond
+      // configuratio first see if one has the
+      // configuration DDA  (like G)
+
+      bool foundDDA = false;
+      if (beginHatomConnections[0].df_isDonor &&
+          beginHatomConnections[1].df_isDonor &&
+          !beginHatomConnections[2].df_isDonor) {
+        foundDDA = true;
+      } else if (endHatomConnections[0].df_isDonor &&
+                 endHatomConnections[1].df_isDonor &&
+                 !endHatomConnections[2].df_isDonor) {
+        foundDDA = true;
+        std::swap(beginHatomConnections, endHatomConnections);
+        std::swap(mainBeginAtomIdx, mainEndAtomIdx);
+      }
+
+      if (foundDDA) {
+        std::vector<HydrogenBondConnection> wobbleBeginAtoms;
+        std::vector<HydrogenBondConnection> wobbleEndAtoms;
+
+        wobbleBeginAtoms.push_back(beginHatomConnections[1]);
+        wobbleBeginAtoms.push_back(beginHatomConnections[2]);
+
+        // see if the other side has the
+        // configuration  ADA (like U)
+        if (!endHatomConnections[0].df_isDonor &&
+            endHatomConnections[1].df_isDonor &&
+            !endHatomConnections[2].df_isDonor) {
+          // ADA use the first two atoms
+          wobbleEndAtoms.push_back(endHatomConnections[0]);
+          wobbleEndAtoms.push_back(endHatomConnections[1]);
+          addBonds(bond->getBondType(), mainBeginAtomIdx, mainEndAtomIdx,
+                   wobbleBeginAtoms, wobbleEndAtoms);
+          return;
+        }
+      }
+    } else if (beginHatomConnections.size() * endHatomConnections.size() ==
+               6) /* one is 2 and one is 3*/ {
+      if (endHatomConnections.size() == 2) {
+        // make sure the first set has two atoms, and the second has 3
+        std::swap(beginHatomConnections, endHatomConnections);
+        std::swap(mainBeginAtomIdx, mainEndAtomIdx);
+      }
+
+      std::vector<HydrogenBondConnection> wobbleEndAtoms;
+      if (beginHatomConnections[0].df_isDonor &&
+          !beginHatomConnections[1].df_isDonor) {  // like I (DA)
+        if (!endHatomConnections[1].df_isDonor &&
+            endHatomConnections[2].df_isDonor) {  // 2nd and 3rd are AD
+          // like A (DAD) or C (AAD)
+          wobbleEndAtoms.push_back(endHatomConnections[1]);
+          wobbleEndAtoms.push_back(endHatomConnections[2]);
+          addBonds(bond->getBondType(), mainBeginAtomIdx, mainEndAtomIdx,
+                   beginHatomConnections, wobbleEndAtoms);
+          return;
+
+        } else if (!endHatomConnections[0].df_isDonor &&
+                   endHatomConnections[1].df_isDonor) {
+          // like U (ADA)
+          wobbleEndAtoms.push_back(endHatomConnections[0]);
+          wobbleEndAtoms.push_back(endHatomConnections[1]);
+          addBonds(bond->getBondType(), mainBeginAtomIdx, mainEndAtomIdx,
+                   beginHatomConnections, wobbleEndAtoms);
+          return;
+        }
+      }
+    }
+
+    // if here, we have no wobble bond, so just add
+    // the bond between the first atoms on both sides
+
+    addBond(bond->getBondType(),
+            originAtomMap[OriginAtomDef(
+                mainBeginAtomIdx, beginHatomConnections[0].d_templateAtomIdx)],
+            originAtomMap[OriginAtomDef(
+                mainEndAtomIdx, endHatomConnections[0].d_templateAtomIdx)]);
+    return;
+  }
+
+ public:
+  MolFromSCSRMolConverter(SCSRMol *scsrMolInit,
+                          const MolFileParserParams &molFileParserParamsInit,
+                          const MolFromSCSRParams &molFromSCSRParamsInit)
+      : scsrMol(scsrMolInit),
+        molFileParserParams(molFileParserParamsInit),
+        molFromSCSRParams(molFromSCSRParamsInit) {}
+
+  std::unique_ptr<RDKit::RWMol> convert() {
+    resMol.reset(new RWMol());
+    mol = scsrMol->getMol();
+
+    // first get some information from the templates to be used when
+    // creating the coords for the new atoms. this is a dirty approach
+    // that simply expands the orginal macro atom coords to be big
+    // enough to hold any expanded macro atom. No attempt is made to
+    // make this look nice, or to avoid overlaps.
+    std::vector<RDGeom::Point3D> templateCentroids;
+    double maxSize = 0.0;
+
+    const Conformer *conf = nullptr;
+    std::unique_ptr<Conformer> newConf(nullptr);
+    if (mol->getNumConformers() != 0) {
+      conf = &mol->getConformer(0);
+      newConf.reset(new Conformer(scsrMol->getMol()->getNumAtoms()));
+      newConf->set3D(conf->is3D());
+
+      for (unsigned int templateIdx = 0;
+           templateIdx < scsrMol->getTemplateCount(); ++templateIdx) {
+        auto templateMol = scsrMol->getTemplate(templateIdx);
+        RDGeom::Point3D sumOfCoords;
+        const RDKit::Conformer *templateConf = nullptr;
+        auto confCount = templateMol->getNumConformers();
+        if (confCount == 0) {
+          conf = nullptr;
+          break;
+        }
+        templateConf = &templateMol->getConformer(0);
+        RDGeom::Point3D maxCoord = templateConf->getAtomPos(0);
+        RDGeom::Point3D minCoord = maxCoord;
+        for (unsigned int atomIdx = 0; atomIdx < templateMol->getNumAtoms();
+             ++atomIdx) {
+          auto atomCoord = templateConf->getAtomPos(atomIdx);
+          sumOfCoords += atomCoord;
+
+          if (atomCoord.x > maxCoord.x) {
+            maxCoord.x = atomCoord.x;
+          }
+          if (atomCoord.y > maxCoord.y) {
+            maxCoord.y = atomCoord.y;
+          }
+          if (atomCoord.z > maxCoord.z) {
+            maxCoord.z = atomCoord.z;
+          }
+          if (atomCoord.x < minCoord.x) {
+            minCoord.x = atomCoord.x;
+          }
+          if (atomCoord.y < minCoord.y) {
+            minCoord.y = atomCoord.y;
+          }
+          if (atomCoord.z < minCoord.z) {
+            minCoord.z = atomCoord.z;
+          }
+        }
+        templateCentroids.push_back(sumOfCoords / templateMol->getNumAtoms());
+        if (maxCoord.x - minCoord.x > maxSize) {
+          maxSize = maxCoord.x - minCoord.x;
+        }
+        if (maxCoord.y - minCoord.y > maxSize) {
+          maxSize = maxCoord.y - minCoord.y;
+        }
+        if (maxCoord.z - minCoord.z > maxSize) {
+          maxSize = maxCoord.z - minCoord.z;
+        }
+      }
+    }
+
+    // if we are perceiving the H-bonding locations for base templates, do that
+    // here
+
+    if (molFromSCSRParams.scsrBaseHbondOptions == SCSRBaseHbondOptions::Auto) {
+      static const std::vector<HbondQueryData> hbondQueries = {
+          {"[NH]1C=NC2=C1N=C([NH2])[NH]C2=O",
+           "Guanine",
+           {HydrogenBondConnection(7, true), HydrogenBondConnection(8, true),
+            HydrogenBondConnection(10, false)}},
+          {"[NH]1C=NC2=C1N=[CH]N=C2[NH2]",
+           "Adenine",
+           {HydrogenBondConnection(6, true), HydrogenBondConnection(7, false),
+            HydrogenBondConnection(9, true)}},
+          {"[NH]1C=CC([NH2])=NC1=O",
+           "Cytosine",
+           {HydrogenBondConnection(7, false), HydrogenBondConnection(5, false),
+            HydrogenBondConnection(4, true)}},
+          {"[NH]1C=CC(=O)[NH]C1=O",
+           "Thyamine-Uracil",
+           {HydrogenBondConnection(7, false), HydrogenBondConnection(5, true),
+            HydrogenBondConnection(4, false)}},
+          {"[NH]1C=NC2=C1N=C[NH]C2=O",
+           "Inosine",
+           {HydrogenBondConnection(7, true),
+            HydrogenBondConnection(9, false)}}};
+      for (unsigned int templateIdx = 0;
+           templateIdx < scsrMol->getTemplateCount(); ++templateIdx) {
+        auto templateMol = scsrMol->getTemplate(templateIdx);
+        templateMol->updatePropertyCache();
+
+        if (templateMol->getProp<std::string>(
+                common_properties::molAtomClass) != "BASE") {
+          continue;
+        }
+
+        hBondSitesForTemplate[templateIdx] =
+            std::vector<HydrogenBondConnection>();
+        for (const auto &querySmi : hbondQueries) {
+          RDKit::SubstructMatchParameters params;
+          auto match = SubstructMatch(*templateMol, *querySmi.dp_mol, params);
+
+          if (match.empty()) {
+            continue;
+          }
+
+          for (const auto &hbondData : querySmi.d_hBondConnections) {
+            hBondSitesForTemplate[templateIdx].emplace_back(
+                match[0][hbondData.d_templateAtomIdx].second,
+                hbondData.df_isDonor);
+          }
+
+          break;  // only take the first match
+        }
+      }
+    }
+
+    // for each atom in the main mol, expand it to full atom form
+
+    std::vector<StereoGroup> newStereoGroups;
+    std::vector<Atom *> absoluteAtoms;
+    std::vector<Bond *> absoluteBonds;
+
+    std::vector<std::unique_ptr<SubstanceGroup>> newSgroups;
+
+    unsigned int atomCount = mol->getNumAtoms();
+    for (unsigned int atomIdx = 0; atomIdx < atomCount; ++atomIdx) {
+      auto atom = mol->getAtomWithIdx(atomIdx);
+      std::string dummyLabel = "";
+      std::string atomClass = "";
+
+      if (!atom->getPropIfPresent(common_properties::dummyLabel, dummyLabel) ||
+          !atom->getPropIfPresent(common_properties::molAtomClass, atomClass) ||
+          dummyLabel == "" || atomClass == "") {
+        // NOT a template atom - just copy it
+        auto newAtom = new Atom(*atom);
+        resMol->addAtom(newAtom, true, true);
+        // atomMap[atomIdx].push_back(newAtom->getIdx());
+
+        // templatesFound.push_back(nullptr);
+        originAtomMap[OriginAtomDef(atomIdx, UINT_MAX)] = newAtom->getIdx();
+        if (conf != nullptr) {
+          newConf->setAtomPos(newAtom->getIdx(),
+                              conf->getAtomPos(atomIdx) * maxSize);
+        }
+      } else {  // it is a macro atom - expand it
+
+        unsigned int seqId = 0;
+        atom->getPropIfPresent(common_properties::molAtomSeqId, seqId);
+
+        //  find the template that matches the class and label
+
+        ROMol *templateMol = nullptr;
+        unsigned int templateIdx;
+        bool templateFound = false;
+        std::string templateNameToUse = "";
+        for (templateIdx = 0; templateIdx < scsrMol->getTemplateCount();
+             ++templateIdx) {
+          templateMol = scsrMol->getTemplate(templateIdx);
+          std::vector<std::string> templateNames;
+          std::string templateName;
+          std::string templateAtomClass;
+          if (templateMol->getPropIfPresent<std::string>(
+                  common_properties::molAtomClass, templateAtomClass) &&
+              templateAtomClass == atomClass &&
+              templateMol->getPropIfPresent<std::vector<std::string>>(
+                  common_properties::templateNames, templateNames) &&
+              std::find(templateNames.begin(), templateNames.end(),
+                        dummyLabel) != templateNames.end()) {
+            templateFound = true;
+            switch (molFromSCSRParams.scsrTemplateNames) {
+              case SCSRTemplateNames::UseFirstName:
+                templateNameToUse = templateNames[0];
+                break;
+              case SCSRTemplateNames::UseSecondName:
+                templateNameToUse = templateNames.back();
+                break;
+              case SCSRTemplateNames::AsEntered:
+                templateNameToUse = dummyLabel;
+                break;
+            }
+            break;
+          }
+        }
+
+        if (!templateFound) {
+          std::ostringstream errout;
+          errout << "No template found for atom " << atomIdx << " class "
+                 << atomClass << " label " << dummyLabel;
+          throw FileParseException(errout.str());
+        }
+
+        atomIdxToTemplateIdx[atomIdx] = templateIdx;
+        std::vector<std::pair<unsigned int, std::string>> attchOrds;
+
+        atom->getPropIfPresent(common_properties::molAttachOrderTemplate,
+                               attchOrds);
+
+        // first find the sgroup that is the base for this atom's
+        // template
+
+        const SubstanceGroup *sgroup = nullptr;
+        for (auto &sgroupToTest : RDKit::getSubstanceGroups(*templateMol)) {
+          std::string sup;
+          std::string sgroupAtomClass;
+          if (sgroupToTest.getPropIfPresent<std::string>("TYPE", sup) &&
+              sup == "SUP" &&
+              sgroupToTest.getPropIfPresent<std::string>("CLASS",
+                                                         sgroupAtomClass) &&
+              sgroupAtomClass == atomClass) {
+            sgroup = &sgroupToTest;
+            break;
+          }
+        }
+
+        if (sgroup == nullptr) {
+          throw FileParseException("No SUP sgroup found for atom");
+        }
+
+        // add the atoms from the main template to the new molecule
+        std::string sgroupName = templateNameToUse;
+        if (seqId != 0) {
+          sgroupName += "_" + std::to_string(seqId);
+        }
+
+        auto coordOffset = (conf->getAtomPos(atomIdx) * maxSize) -
+                           templateCentroids[templateIdx];
+
+        copySgroupIntoResult(atomIdx, *sgroup, sgroupName, newSgroups,
+                             newConf.get(), coordOffset);
+
+        // find  the attachment points used by this atom and record them
+        // in attachMap.
+
+        for (const auto &[idx, lbl] : attchOrds) {
+          attachMap[OriginAtomConnection(atomIdx, lbl)] =
+              std::vector<unsigned int>();
+          auto &attachAtoms = attachMap[OriginAtomConnection(atomIdx, lbl)];
+          for (auto attachPoint : sgroup->getAttachPoints()) {
+            if (attachPoint.id == lbl) {
+              attachAtoms.push_back(attachPoint.aIdx);
+            }
+          }
+          if (attachAtoms.size() == 0) {
+            throw FileParseException("Attachment point not found");
+          }
+        }
+
+        // if we are including atoms from leaving groups, go through the
+        // attachment points of the main sgroup. If the attach point is
+        // not found in the attachords, then find the sgroup for that
+        // attach point and add its atoms the molecule
+
+        if (molFromSCSRParams.includeLeavingGroups) {
+          for (auto attachPoint : sgroup->getAttachPoints()) {
+            if (attachMap.find(OriginAtomConnection(atomIdx, attachPoint.id)) ==
+                attachMap.end()) {
+              bool foundLgSgroup = false;
+
+              for (auto lgSgroup : getSubstanceGroups(*templateMol)) {
+                std::string lgSup;
+                std::string lgSgroupAtomClass;
+                if (lgSgroup.getPropIfPresent<std::string>("TYPE", lgSup) &&
+                    lgSup == "SUP" &&
+                    lgSgroup.getPropIfPresent<std::string>("CLASS",
+                                                           lgSgroupAtomClass) &&
+                    lgSgroupAtomClass == "LGRP") {
+                  auto lgSgroupAtoms = lgSgroup.getAtoms();
+                  if (std::find(lgSgroupAtoms.begin(), lgSgroupAtoms.end(),
+                                attachPoint.lvIdx) != lgSgroupAtoms.end()) {
+                    std::string sgroupName = dummyLabel;
+                    if (seqId != 0) {
+                      sgroupName += "_" + std::to_string(seqId);
+                    }
+                    sgroupName += "_" + attachPoint.id;
+                    foundLgSgroup = true;
+                    copySgroupIntoResult(atomIdx, lgSgroup, sgroupName,
+                                         newSgroups, newConf.get(),
+                                         coordOffset);
+
+                    break;
+                  }
+                }
+              }
+
+              if (!foundLgSgroup) {
+                throw FileParseException("Leaving group SGroup " +
+                                         attachPoint.id + " not found");
+              }
+            }
+          }
+        }
+
+        // copy the bonds of the template into the new molecule
+        // if the bonds are between atoms in the new molecule
+        // Bonds to atoms in leaving groups that "left" are NOT copied
+
+        for (auto bond : templateMol->bonds()) {
+          if (originAtomMap.find(OriginAtomDef(
+                  atomIdx, bond->getBeginAtomIdx())) == originAtomMap.end() ||
+              originAtomMap.find(OriginAtomDef(
+                  atomIdx, bond->getEndAtomIdx())) == originAtomMap.end()) {
+            continue;  // bond not in the new molecule
+          }
+          auto newBeginAtomIdx =
+              originAtomMap[OriginAtomDef(atomIdx, bond->getBeginAtomIdx())];
+          auto newEndAtomIdx =
+              originAtomMap[OriginAtomDef(atomIdx, bond->getEndAtomIdx())];
+
+          auto newBond = new Bond(bond->getBondType());
+          newBond->setBeginAtomIdx(newBeginAtomIdx);
+          newBond->setEndAtomIdx(newEndAtomIdx);
+          newBond->updateProps(*bond, false);
+          resMol->addBond(newBond, true);
+        }
+
+        // take care of stereo groups in the template
+        // abs groups are added to the list of abs atoms and bonds, so
+        // that we can add ONE abs group later
+
+        for (auto &sg : templateMol->getStereoGroups()) {
+          std::vector<Atom *> newGroupAtoms;
+          std::vector<Bond *> newGroupBonds;
+
+          for (auto sgAtom : sg.getAtoms()) {
+            auto originAtom = OriginAtomDef(atomIdx, sgAtom->getIdx());
+
+            auto newAtomPtr = originAtomMap.find(originAtom);
+            if (newAtomPtr != originAtomMap.end()) {
+              newGroupAtoms.push_back(
+                  resMol->getAtomWithIdx(newAtomPtr->second));
+            }
+          }
+
+          for (auto sgBond : sg.getBonds()) {
+            auto originBeginAtom =
+                OriginAtomDef(atomIdx, sgBond->getBeginAtomIdx());
+            auto originEndAtom =
+                OriginAtomDef(atomIdx, sgBond->getEndAtomIdx());
+
+            auto newBeginAtomPtr = originAtomMap.find(originBeginAtom);
+            auto newEndAtomPtr = originAtomMap.find(originEndAtom);
+            if (newBeginAtomPtr != originAtomMap.end() &&
+                newEndAtomPtr != originAtomMap.end()) {
+              auto newBond = resMol->getBondBetweenAtoms(
+                  newBeginAtomPtr->second, newEndAtomPtr->second);
+              if (newBond != nullptr) {
+                newGroupBonds.push_back(newBond);
+              }
+            }
+          }
+
+          if (sg.getGroupType() == StereoGroupType::STEREO_ABSOLUTE) {
+            absoluteAtoms.insert(absoluteAtoms.end(), newGroupAtoms.begin(),
+                                 newGroupAtoms.end());
+            absoluteBonds.insert(absoluteBonds.end(), newGroupBonds.begin(),
+                                 newGroupBonds.end());
+          } else {
+            // make a new group
+
+            newStereoGroups.emplace_back(sg.getGroupType(), newGroupAtoms,
+                                         newGroupBonds);
+          }
+        }
+      }
+    }
+
+    if (resMol->getNumAtoms() == 0) {
+      return std::move(resMol);
+    }
+
+    if (conf != nullptr) {
+      newConf->resize(resMol->getNumAtoms());
+      resMol->addConformer(newConf.release());
+    }
+
+    // now deal with the bonds from the original mol.
+
+    for (auto bond : scsrMol->getMol()->bonds()) {
+      processBondInMainMol(bond);
+    }
+
+    // copy any attrs from the main mol
+
+    for (auto &prop : mol->getPropList(false, false)) {
+      std::string propVal;
+      if (mol->getPropIfPresent(prop, propVal)) {
+        resMol->setProp(prop, propVal);
+      }
+    }
+
+    // copy the sgroups from the main mol for atoms not in a template
+
+    for (auto &sg : getSubstanceGroups(*mol)) {
+      if (sg.getIsValid()) {
+        auto &atoms = sg.getAtoms();
+        std::vector<unsigned int> newAtoms;
+        for (auto atom : atoms) {
+          auto originAtom = OriginAtomDef(atom, UINT_MAX);
+          auto newAtomPtr = originAtomMap.find(originAtom);
+          if (newAtomPtr != originAtomMap.end()) {
+            newAtoms.push_back(newAtomPtr->second);
+          } else {
+            // some atoms were in templates and others were not - cannot
+            // add this sgroup
+            newAtoms.clear();
+            break;
+          }
+        }
+        if (newAtoms.size() > 0) {
+          newSgroups.emplace_back(new SubstanceGroup(sg));
+          auto newSg = newSgroups.back().get();
+          // RDKit::SubstanceGroup newSg(sg);
+
+          newSg->setAtoms(newAtoms);
+        }
+      }
+    }
+
+    // now that we have all substance groups from the template and from
+    // the non-template atoms, and we have all the bonds, find the
+    // Xbonds for each substance group and add them
+
+    for (auto bond : resMol->bonds()) {
+      for (auto &sg : newSgroups) {
+        // if one atom of the bond is found and the other is not in the
+        // sgroup, this is a Xbond
+        auto sgAtoms = sg->getAtoms();
+        if ((std::find(sgAtoms.begin(), sgAtoms.end(),
+                       bond->getBeginAtomIdx()) == sgAtoms.end()) !=
+            (std::find(sgAtoms.begin(), sgAtoms.end(), bond->getEndAtomIdx()) ==
+             sgAtoms.end())) {
+          sg->addBondWithIdx(bond->getIdx());
+        }
+      }
+    }
+
+    if (newSgroups.size() > 0) {
+      for (auto &sg : newSgroups) {
+        addSubstanceGroup(*resMol, *sg.get());
+      }
+    }
+    newSgroups.clear();  // just tidy cleanup
+
+    // take care of stereo groups in the main mol - for atoms that are
+    // NOT template refs
+
+    for (auto &sg : mol->getStereoGroups()) {
+      std::vector<Atom *> newGroupAtoms;
+      std::vector<Bond *> newGroupBonds;
+
+      for (auto sgAtom : sg.getAtoms()) {
+        auto originAtom = OriginAtomDef(sgAtom->getIdx(), UINT_MAX);
+        auto newAtomPtr = originAtomMap.find(originAtom);
+        if (newAtomPtr != originAtomMap.end()) {
+          newGroupAtoms.push_back(resMol->getAtomWithIdx(newAtomPtr->second));
+        }
+      }
+
+      for (auto sgBond : sg.getBonds()) {
+        auto originBeginAtom =
+            OriginAtomDef(sgBond->getBeginAtomIdx(), UINT_MAX);
+        auto originEndAtom = OriginAtomDef(sgBond->getEndAtomIdx(), UINT_MAX);
+        auto newBeginAtomPtr = originAtomMap.find(originBeginAtom);
+        auto newEndAtomPtr = originAtomMap.find(originEndAtom);
+
+        if (newBeginAtomPtr != originAtomMap.end() &&
+            newEndAtomPtr != originAtomMap.end()) {
+          auto newBond = resMol->getBondBetweenAtoms(newBeginAtomPtr->second,
+                                                     newEndAtomPtr->second);
+          if (newBond != nullptr) {
+            newGroupBonds.push_back(newBond);
+          }
+        }
+
+        if (sg.getGroupType() == StereoGroupType::STEREO_ABSOLUTE) {
+          absoluteAtoms.insert(absoluteAtoms.end(), newGroupAtoms.begin(),
+                               newGroupAtoms.end());
+          absoluteBonds.insert(absoluteBonds.end(), newGroupBonds.begin(),
+                               newGroupBonds.end());
+        } else {
+          // make a new group
+
+          newStereoGroups.emplace_back(sg.getGroupType(), newGroupAtoms,
+                                       newGroupBonds);
+        }
+      }
+    }
+
+    // make an absolute group that contains any absolute atoms or bonds
+    // from either the main mol or the template instantiations
+
+    if (!absoluteAtoms.empty() || !absoluteBonds.empty()) {
+      newStereoGroups.emplace_back(StereoGroupType::STEREO_ABSOLUTE,
+                                   absoluteAtoms, absoluteBonds);
+    }
+
+    if (newStereoGroups.size() > 0) {
+      resMol->setStereoGroups(newStereoGroups);
+    }
+
+    bool chiralityPossible = false;
+    FileParserUtils::finishMolProcessing(resMol.get(), chiralityPossible,
+                                         molFileParserParams);
+
+    return std::move(resMol);
+  }
+};
+
+static std::unique_ptr<RDKit::RWMol> MolFromSCSRMol(
+    SCSRMol *scsrMol, const MolFileParserParams &molFileParserParams,
+    const MolFromSCSRParams &molFromSCSRParams) {
+  MolFromSCSRMolConverter converter(scsrMol, molFileParserParams,
+                                    molFromSCSRParams);
+  return converter.convert();
+}
+
+std::unique_ptr<RDKit::RWMol> MolFromSCSRDataStream(
+    std::istream &inStream, unsigned int &line,
+    const MolFileParserParams &molFileParserParams,
+    const MolFromSCSRParams &molFromSCSRParams) {
+  auto scsr = SCSRMolFromSCSRDataStream(inStream, line, molFileParserParams);
+  return MolFromSCSRMol(scsr.get(), molFileParserParams, molFromSCSRParams);
+}
+
+std::unique_ptr<RDKit::RWMol> MolFromSCSRBlock(
+    const std::string &molBlock, const MolFileParserParams &molFileParserParams,
+    const MolFromSCSRParams &molFromSCSRParams) {
+  auto scsr = SCSRMolFromSCSRBlock(molBlock, molFileParserParams);
+  return MolFromSCSRMol(scsr.get(), molFileParserParams, molFromSCSRParams);
+}
+
+std::unique_ptr<RDKit::RWMol> MolFromSCSRFile(
+    const std::string &fName, const MolFileParserParams &molFileParserParams,
+    const MolFromSCSRParams &molFromSCSRParams) {
+  auto scsr = SCSRMolFromSCSRFile(fName, molFileParserParams);
+  return MolFromSCSRMol(scsr.get(), molFileParserParams, molFromSCSRParams);
+}
+
+}  // namespace FileParsers
+}  // namespace v2
+}  // namespace RDKit
diff --git a/Code/GraphMol/FileParsers/file_parsers_catch.cpp b/Code/GraphMol/FileParsers/file_parsers_catch.cpp
index e2c4b12ef..1116290d9 100644
--- a/Code/GraphMol/FileParsers/file_parsers_catch.cpp
+++ b/Code/GraphMol/FileParsers/file_parsers_catch.cpp
@@ -3431,7 +3431,7 @@ M  END
     auto mb = MolToV3KMolBlock(*m);
     CHECK(mb.find("V30 8 10 5 8") != std::string::npos);
     CHECK(MolToSmiles(*m) ==
-          "CC1=O~[H]OC(C)C1");  // the SMILES writer still doesn't know what to
+          "CC1CC(C)O[H]~O=1");  // the SMILES writer still doesn't know what to
                                 // do with it
   }
 }
diff --git a/Code/GraphMol/FileParsers/macromols_catch.cpp b/Code/GraphMol/FileParsers/macromols_catch.cpp
new file mode 100644
index 000000000..9097530e6
--- /dev/null
+++ b/Code/GraphMol/FileParsers/macromols_catch.cpp
@@ -0,0 +1,313 @@
+//
+//  Copyright (C) 2025 Tad Hurst and other RDKit contributors
+//   @@ All Rights Reserved @@
+//  This file is part of the RDKit.
+//  The contents are covered by the terms of the BSD license
+//  which is included in the file license.txt, found at the root
+//  of the RDKit source tree.
+//
+
+#include <algorithm>
+#include <fstream>
+#include <string>
+#include <sstream>
+#include <streambuf>
+
+#include "RDGeneral/test.h"
+#include <catch2/catch_all.hpp>
+#include <RDGeneral/Invariant.h>
+#include <GraphMol/RDKitBase.h>
+#include <GraphMol/FileParsers/FileParsers.h>
+#include <GraphMol/Atropisomers.h>
+#include <GraphMol/SmilesParse/SmilesWrite.h>
+
+#include <RDGeneral/BoostStartInclude.h>
+#include <boost/lexical_cast.hpp>
+#include <RDGeneral/BoostEndInclude.h>
+#include <filesystem>
+using namespace RDKit;
+using namespace v2::FileParsers;
+
+using namespace RDKit;
+
+class ScsiMolTest {
+ public:
+ public:
+  bool generateExpectedFiles = false;
+
+  ScsiMolTest() {}
+
+  class ScsiTest {
+   public:
+    std::string fileName;
+    unsigned int totalAtomCount;
+    unsigned int totalBondCount;
+    unsigned int sgroupCount;
+    unsigned int totalQueryAtomCount;
+    unsigned int totalQueryBondCount;
+    unsigned int querySgroupCount;
+    bool scsrExpandResult;
+    SCSRBaseHbondOptions scsrBaseHbondOptions;
+
+    ScsiTest(std::string fileNameInit, bool scsrExpandResult,
+             SCSRBaseHbondOptions scsrBaseHbondOptions,
+             unsigned int totalAtomCountInit, unsigned int totalBondCountInit,
+             unsigned int sgroupCountInit, unsigned int totalQueryAtomCountInit,
+             unsigned int totalQueryBondCountInit,
+             unsigned int querySgroupCountInit = 0)
+        : fileName(fileNameInit),
+
+          totalAtomCount(totalAtomCountInit),
+          totalBondCount(totalBondCountInit),
+          sgroupCount(sgroupCountInit),
+          totalQueryAtomCount(totalQueryAtomCountInit),
+          totalQueryBondCount(totalQueryBondCountInit),
+          querySgroupCount(querySgroupCountInit),
+          scsrExpandResult(scsrExpandResult),
+          scsrBaseHbondOptions(scsrBaseHbondOptions) {};
+  };
+
+  void testScsiFiles(const ScsiTest *scsiTest) {
+    BOOST_LOG(rdInfoLog) << "testing scsr  files" << std::endl;
+
+    INFO(scsiTest->fileName);
+
+    std::string rdbase = getenv("RDBASE");
+    std::string fName = rdbase +
+                        "/Code/GraphMol/FileParsers/test_data/macromols/" +
+                        scsiTest->fileName;
+
+    RDKit::v2::FileParsers::MolFileParserParams pp;
+    pp.sanitize = true;
+    pp.removeHs = false;
+    pp.strictParsing = true;
+
+    RDKit::v2::FileParsers::MolFromSCSRParams molFromSCSRParams;
+    molFromSCSRParams.includeLeavingGroups = true;
+    molFromSCSRParams.scsrBaseHbondOptions = scsiTest->scsrBaseHbondOptions;
+
+    std::unique_ptr<RDKit::RWMol> mol;
+    if (scsiTest->scsrExpandResult) {
+      REQUIRE_NOTHROW(mol = MolFromSCSRFile(fName, pp, molFromSCSRParams));
+    } else {
+      REQUIRE_THROWS(mol = MolFromSCSRFile(fName, pp, molFromSCSRParams));
+      return;
+    }
+
+    RDKit::Chirality::removeNonExplicit3DChirality(*(mol.get()));
+
+    CHECK(mol != nullptr);
+    CHECK(mol->getNumAtoms() == scsiTest->totalAtomCount);
+    CHECK(mol->getNumBonds() == scsiTest->totalBondCount);
+    CHECK(getSubstanceGroups(*mol).size() == scsiTest->sgroupCount);
+
+    // now make the expanded mol in "query" mode - not including any leaving
+    // groups
+
+    molFromSCSRParams.includeLeavingGroups = false;
+    std::unique_ptr<RDKit::RWMol> molNoLeavingGroups;
+    if (scsiTest->scsrExpandResult) {
+      REQUIRE_NOTHROW(molNoLeavingGroups =
+                          MolFromSCSRFile(fName, pp, molFromSCSRParams));
+    } else {
+      REQUIRE_THROWS(molNoLeavingGroups =
+                         MolFromSCSRFile(fName, pp, molFromSCSRParams));
+      return;
+    }
+
+    CHECK(molNoLeavingGroups != nullptr);
+    CHECK(molNoLeavingGroups->getNumAtoms() == scsiTest->totalQueryAtomCount);
+    CHECK(molNoLeavingGroups->getNumBonds() == scsiTest->totalQueryBondCount);
+    CHECK(getSubstanceGroups(*molNoLeavingGroups).size() ==
+          scsiTest->querySgroupCount);
+  }
+
+  void threeLetterCodeTest(const ScsiTest *scsiTest) {
+    BOOST_LOG(rdInfoLog) << "testing scsr  files with three letter codes"
+                         << std::endl;
+
+    std::string rdbase = getenv("RDBASE");
+    std::string fName = rdbase +
+                        "/Code/GraphMol/FileParsers/test_data/macromols/" +
+                        scsiTest->fileName;
+
+    RDKit::v2::FileParsers::MolFileParserParams pp;
+    pp.sanitize = false;
+    pp.removeHs = false;
+    pp.strictParsing = false;
+
+    RDKit::v2::FileParsers::MolFromSCSRParams molFromSCSRParams;
+    molFromSCSRParams.includeLeavingGroups = true;
+    molFromSCSRParams.scsrTemplateNames =
+        RDKit::v2::FileParsers::SCSRTemplateNames::AsEntered;
+    molFromSCSRParams.scsrBaseHbondOptions = scsiTest->scsrBaseHbondOptions;
+
+    std::unique_ptr<RDKit::RWMol> mol;
+    if (scsiTest->scsrExpandResult) {
+      REQUIRE_NOTHROW(mol = MolFromSCSRFile(fName, pp, molFromSCSRParams));
+    } else {
+      REQUIRE_THROWS(mol = MolFromSCSRFile(fName, pp, molFromSCSRParams));
+      return;
+    }
+
+    RDKit::Chirality::removeNonExplicit3DChirality(*(mol.get()));
+
+    CHECK(mol);
+    CHECK(mol->getNumAtoms() == scsiTest->totalAtomCount);
+    CHECK(mol->getNumBonds() == scsiTest->totalBondCount);
+    CHECK(getSubstanceGroups(*mol).size() == scsiTest->sgroupCount);
+
+    molFromSCSRParams.includeLeavingGroups = true;
+    molFromSCSRParams.scsrTemplateNames =
+        RDKit::v2::FileParsers::SCSRTemplateNames::UseFirstName;
+    std::unique_ptr<RWMol> mol2;
+    if (scsiTest->scsrExpandResult) {
+      REQUIRE_NOTHROW(mol2 = MolFromSCSRFile(fName, pp, molFromSCSRParams));
+    } else {
+      REQUIRE_THROWS(mol2 = MolFromSCSRFile(fName, pp, molFromSCSRParams));
+    }
+
+    // const std::unique_ptr<RDKit::RWMol> mol;
+    CHECK(mol2);
+    CHECK(mol2->getNumAtoms() == scsiTest->totalQueryAtomCount);
+    CHECK(mol2->getNumBonds() == scsiTest->totalQueryBondCount);
+    CHECK(getSubstanceGroups(*mol2).size() == scsiTest->querySgroupCount);
+  };
+};
+
+TEST_CASE("scsiTests", "scsiTests") {
+  SECTION("basics") {
+    std::list<ScsiMolTest::ScsiTest> scsiTests{
+        ScsiMolTest::ScsiTest("ModifiedPeptide2.mol", true,
+                              SCSRBaseHbondOptions::Auto, 438, 444, 81, 407,
+                              413, 50),
+        ScsiMolTest::ScsiTest("DnaBadPairs_NoCh.mol", true,
+                              SCSRBaseHbondOptions::Auto, 84, 94, 14, 80, 90,
+                              10),
+        ScsiMolTest::ScsiTest("DnaBadPairs.mol", true,
+                              SCSRBaseHbondOptions::UseSapAll, 84, 94, 14, 80,
+                              90, 10),
+        ScsiMolTest::ScsiTest("DnaTest.mol", false,
+                              SCSRBaseHbondOptions::UseSapAll, 254, 300, 14,
+                              250, 296, 10),
+        ScsiMolTest::ScsiTest("wobblePairs2.mol", true,
+                              SCSRBaseHbondOptions::UseSapAll, 169, 196, 26,
+                              165, 192, 22),
+        ScsiMolTest::ScsiTest("wobblePairs.mol", true,
+                              SCSRBaseHbondOptions::UseSapAll, 169, 196, 26,
+                              165, 192, 22),
+        ScsiMolTest::ScsiTest("KellanRNA.mol", true,
+                              SCSRBaseHbondOptions::UseSapAll, 299, 353, 44,
+                              295, 349, 40),
+        ScsiMolTest::ScsiTest("DnaTest2.mol", true,
+                              SCSRBaseHbondOptions::UseSapAll, 83, 97, 14, 79,
+                              93, 10),
+        ScsiMolTest::ScsiTest("DnaTest3.mol", true,
+                              SCSRBaseHbondOptions::UseSapAll, 165, 194, 26,
+                              161, 190, 22),
+        ScsiMolTest::ScsiTest("KellanError.mol", true,
+                              SCSRBaseHbondOptions::UseSapAll, 244, 263, 39,
+                              236, 255, 31),
+
+        ScsiMolTest::ScsiTest("TestRNA2_fixed.mol", true,
+                              SCSRBaseHbondOptions::UseSapAll, 106, 117, 17,
+                              104, 115, 15),
+
+        ScsiMolTest::ScsiTest("DnaTest.mol", true, SCSRBaseHbondOptions::Auto,
+                              254, 300, 38, 250, 296, 34),
+        ScsiMolTest::ScsiTest("wobblePairs2.mol", true,
+                              SCSRBaseHbondOptions::Auto, 169, 196, 26, 165,
+                              192, 22),
+        ScsiMolTest::ScsiTest("wobblePairs.mol", true,
+                              SCSRBaseHbondOptions::Auto, 169, 196, 26, 165,
+                              192, 22),
+        ScsiMolTest::ScsiTest("DnaBadPairs.mol", true,
+                              SCSRBaseHbondOptions::Auto, 84, 94, 14, 80, 90,
+                              10),
+        ScsiMolTest::ScsiTest("DnaTest2.mol", true, SCSRBaseHbondOptions::Auto,
+                              83, 97, 14, 79, 93, 10),
+        ScsiMolTest::ScsiTest("DnaTest3.mol", true, SCSRBaseHbondOptions::Auto,
+                              165, 194, 26, 161, 190, 22),
+        ScsiMolTest::ScsiTest("KellanError.mol", true,
+                              SCSRBaseHbondOptions::Auto, 244, 263, 39, 236,
+                              255, 31),
+        ScsiMolTest::ScsiTest("TestRNA2_fixed.mol", true,
+                              SCSRBaseHbondOptions::Auto, 106, 117, 17, 104,
+                              115, 15),
+
+        ScsiMolTest::ScsiTest("TrastuzumabMaxPlus3Register.mol", true,
+                              SCSRBaseHbondOptions::UseSapAll, 7606, 7793, 1451,
+                              7080, 7267, 925),
+        ScsiMolTest::ScsiTest("TrastuzumabMaxRegister.mol", true,
+                              SCSRBaseHbondOptions::UseSapAll, 7576, 7763, 1445,
+                              7053, 7240, 922),
+        ScsiMolTest::ScsiTest("Mixed.mol", true,
+                              SCSRBaseHbondOptions::UseSapAll, 51, 54, 8, 51,
+                              54, 8),
+        ScsiMolTest::ScsiTest("CrossLink.mol", true,
+                              SCSRBaseHbondOptions::UseSapAll, 47, 48, 10, 45,
+                              46, 8),
+        ScsiMolTest::ScsiTest("cyclic.mol", true,
+                              SCSRBaseHbondOptions::UseSapAll, 45, 47, 8, 45,
+                              47, 8),
+
+        ScsiMolTest::ScsiTest("Triplet.mol", true,
+                              SCSRBaseHbondOptions::UseSapAll, 30, 30, 6, 27,
+                              27, 3),
+        ScsiMolTest::ScsiTest("FromBioviaDoc.mol", true,
+                              SCSRBaseHbondOptions::UseSapAll, 27, 26, 7, 25,
+                              24, 5),
+        ScsiMolTest::ScsiTest("testSCSR.mol", true,
+                              SCSRBaseHbondOptions::UseSapAll, 64, 66, 15, 57,
+                              59, 8),
+        ScsiMolTest::ScsiTest("badAtomName.mol", false,
+                              SCSRBaseHbondOptions::UseSapAll, 0, 0, 0, 0, 0,
+                              0),
+        ScsiMolTest::ScsiTest("badClass.mol", false,
+                              SCSRBaseHbondOptions::UseSapAll, 0, 0, 0, 0, 0,
+                              0),
+        ScsiMolTest::ScsiTest("badClassTemplate.mol", false,
+                              SCSRBaseHbondOptions::UseSapAll, 0, 0, 0, 0, 0,
+                              0),
+        ScsiMolTest::ScsiTest("badMissingTemplate.mol", false,
+                              SCSRBaseHbondOptions::UseSapAll, 0, 0, 0, 0, 0,
+                              0),
+        ScsiMolTest::ScsiTest("obj3dTest.mol", true,
+                              SCSRBaseHbondOptions::UseSapAll, 27, 26, 7, 25,
+                              24, 5),
+        ScsiMolTest::ScsiTest("obj3dTest2.mol", true,
+                              SCSRBaseHbondOptions::UseSapAll, 27, 26, 7, 25,
+                              24, 5),
+        ScsiMolTest::ScsiTest("obj3dFoundTwice.mol", false,
+                              SCSRBaseHbondOptions::UseSapAll, 27, 26, 0, 27,
+                              26, 0),
+        ScsiMolTest::ScsiTest("SgroupFoundTwice.mol", false,
+                              SCSRBaseHbondOptions::UseSapAll, 0, 0, 0, 0, 0,
+                              0),
+    };
+    ScsiMolTest scsiMolTest;
+    for (auto scsiTest : scsiTests) {
+      BOOST_LOG(rdInfoLog) << "Test: " << scsiTest.fileName << std::endl;
+
+      scsiMolTest.testScsiFiles(&scsiTest);
+    }
+  }
+}
+
+TEST_CASE("threeLetterCodeTest", "threeLetterCodeTest") {
+  SECTION("basics") {
+    std::list<ScsiMolTest::ScsiTest> scsiTests{
+        ScsiMolTest::ScsiTest("PepTla.mol", true,
+                              SCSRBaseHbondOptions::UseSapAll, 26, 25, 7, 26,
+                              25, 7),
+
+    };
+    ScsiMolTest scsiMolTest;
+
+    for (auto scsiTest : scsiTests) {
+      BOOST_LOG(rdInfoLog) << "Test: " << scsiTest.fileName << std::endl;
+
+      scsiMolTest.threeLetterCodeTest(&scsiTest);
+    }
+  }
+}
diff --git a/Code/GraphMol/FileParsers/test_data/Issue3432136_2.v3k.mol b/Code/GraphMol/FileParsers/test_data/Issue3432136_2.v3k.mol
index 7afe060ce..8ae34d5d1 100644
--- a/Code/GraphMol/FileParsers/test_data/Issue3432136_2.v3k.mol
+++ b/Code/GraphMol/FileParsers/test_data/Issue3432136_2.v3k.mol
@@ -32,7 +32,7 @@ M  V30 10 1 7 11
 M  V30 11 1 11 12
 M  V30 END BOND
 M  V30 BEGIN SGROUP
-M  V30 DEFAULT CLASS=DEMOCLASS LABEL=overwritten
+M  V30 DEFAULT CLASS=AA LABEL=overwritten
 M  V30 1 SUP 0 ATOMS=(6 6 7 8 9 11 12) XBONDS=(1 5) LABEL=abbrev ESTATE=E
 M  V30 END SGROUP
 M  V30 END CTAB
diff --git a/Code/GraphMol/FileParsers/test_data/macromols/CrossLink.mol b/Code/GraphMol/FileParsers/test_data/macromols/CrossLink.mol
new file mode 100644
index 000000000..184c07666
--- /dev/null
+++ b/Code/GraphMol/FileParsers/test_data/macromols/CrossLink.mol
@@ -0,0 +1,220 @@
+
+  -INDIGO-12312410022D
+
+  0  0  0  0  0  0  0  0  0  0  0 V3000
+M  V30 BEGIN CTAB
+M  V30 COUNTS 8 8 0 0 0
+M  V30 BEGIN ATOM
+M  V30 1 A 1.15 -3.75 0.0 0 CLASS=AA SEQID=8 ATTCHORD=(2 8 Al)
+M  V30 2 G 1.25 -1.25 0.0 0 CLASS=AA SEQID=1 ATTCHORD=(2 3 Br)
+M  V30 3 G 2.75 -1.25 0.0 0 CLASS=AA SEQID=2 ATTCHORD=(4 2 Al 4 Br)
+M  V30 4 C 4.075 -1.25 0.0 0 CLASS=AA SEQID=3 ATTCHORD=(6 3 Al 5 Br 7 Cx)
+M  V30 5 L 5.75 -1.25 0.0 0 CLASS=AA SEQID=4 ATTCHORD=(4 4 Al 6 Br)
+M  V30 6 P 6.45 -3.65 0.0 0 CLASS=AA SEQID=5 ATTCHORD=(4 5 Al 7 Br)
+M  V30 7 C 4.5 -3.675 0.0 0 CLASS=AA SEQID=6 ATTCHORD=(6 6 Al 8 Br 4 Cx)
+M  V30 8 A 3.05 -3.625 0.0 0 CLASS=AA SEQID=7 ATTCHORD=(4 7 Al 1 Br)
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 2 3
+M  V30 2 1 3 4
+M  V30 3 1 4 5
+M  V30 4 1 5 6
+M  V30 5 1 6 7
+M  V30 6 1 7 8
+M  V30 7 1 8 1
+M  V30 8 1 4 7
+M  V30 END BOND
+M  V30 END CTAB
+M  V30 BEGIN TEMPLATE
+M  V30 TEMPLATE 1 AA/Ala/A/ NATREPLACE=AA/A
+M  V30 BEGIN CTAB
+M  V30 COUNTS 7 6 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 N -1.2549 -0.392 0.0 0
+M  V30 2 C -0.272 0.2633 0.0 0 CFG=1
+M  V30 3 C -0.3103 1.7393 0.0 0
+M  V30 4 C 1.0523 -0.392 0.0 0
+M  V30 5 O 1.0829 -1.5722 0.0 0
+M  V30 6 O 2.0353 0.2633 0.0 0
+M  V30 7 H -2.3334 0.0905 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 2 1
+M  V30 2 1 2 3 CFG=1
+M  V30 3 1 2 4
+M  V30 4 2 4 5
+M  V30 5 1 4 6
+M  V30 6 1 1 7
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 2)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 7) XBONDS=(1 6) BRKXYZ=(9 0.539250 -0.241250 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 6) XBONDS=(1 5) BRKXYZ=(9 -0.491500 -0.327650 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(5 1 2 3 4 5) XBONDS=(2 6 5) BRKXYZ=(9 -0.539250 0.24125-
+M  V30 0 0.000000 0.491500 0.327650 0.000000 0.000000 0.000000 0.000000) LABE-
+M  V30 L=A CLASS=AA SAP=(3 1 7 Al) SAP=(3 4 6 Br) NATREPLACE=AA/A
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 2 AA/Gly/G/ NATREPLACE=AA/G
+M  V30 BEGIN CTAB
+M  V30 COUNTS 6 5 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C -0.3363 0.5346 0.0 0
+M  V30 2 C 0.9929 -0.1107 0.0 0
+M  V30 3 O 1.0782 -1.289 0.0 0
+M  V30 4 O 1.9709 0.552 0.0 0
+M  V30 5 N -1.326 -0.1107 0.0 0
+M  V30 6 H -2.3797 0.4238 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 2 2 3
+M  V30 3 1 2 4
+M  V30 4 1 1 5
+M  V30 5 1 5 6
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 6) XBONDS=(1 5) BRKXYZ=(9 0.526850 -0.267250 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 4) XBONDS=(1 3) BRKXYZ=(9 -0.489000 -0.331350 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(4 1 2 3 5) XBONDS=(2 3 5) BRKXYZ=(9 0.489000 0.331350 0-
+M  V30 .000000 -0.526850 0.267250 0.000000 0.000000 0.000000 0.000000) LABEL=-
+M  V30 G CLASS=AA SAP=(3 5 6 Al) SAP=(3 2 4 Br) NATREPLACE=AA/G
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 3 AA/Cys/C/ NATREPLACE=AA/C
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 8 4 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.4457 -1.1333 0.0 0
+M  V30 2 C 0.1453 -0.384 0.0 0 CFG=2
+M  V30 3 C 0.143 1.1168 0.0 0
+M  V30 4 S -1.1573 1.8661 0.0 0
+M  V30 5 N -1.1551 -1.1333 0.0 0
+M  V30 6 O 1.4475 -2.3333 0.0 0
+M  V30 7 O 2.4842 -0.532 0.0 0
+M  V30 8 H -2.1942 -0.5331 0.0 0
+M  V30 9 H -1.1591 3.0661 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 6 1
+M  V30 2 1 1 2
+M  V30 3 1 1 7
+M  V30 4 1 2 5
+M  V30 5 1 2 3 CFG=1
+M  V30 6 1 3 4
+M  V30 7 1 5 8
+M  V30 8 1 4 9
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 2)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 8) XBONDS=(1 7) BRKXYZ=(9 0.519550 -0.300100 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 7) XBONDS=(1 3) BRKXYZ=(9 -0.519250 -0.300650 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(1 9) XBONDS=(1 8) BRKXYZ=(9 0.000900 -0.600000 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 4 SUP 4 ATOMS=(6 1 2 3 4 5 6) XBONDS=(3 3 8 7) BRKXYZ=(9 0.519250 0.30-
+M  V30 0650 0.000000 -0.000900 0.600000 0.000000 0.000000 0.000000 0.000000) -
+M  V30 BRKXYZ=(9 -0.519550 0.300100 0.000000 0.000000 0.000000 0.000000 0.000-
+M  V30 000 0.000000 0.000000) LABEL=C CLASS=AA SAP=(3 5 8 Al) SAP=(3 1 7 Br) -
+M  V30 SAP=(3 4 9 Cx) NATREPLACE=AA/C
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 4 AA/Leu/L/ NATREPLACE=AA/L
+M  V30 BEGIN CTAB
+M  V30 COUNTS 10 9 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 0.3626 0.9903 0.0 0
+M  V30 2 C -0.9395 2.9396 0.0 0
+M  V30 3 C -0.9377 1.7396 0.0 0
+M  V30 4 C -1.9763 1.1383 0.0 0
+M  V30 5 C 0.3649 -0.5105 0.0 0 CFG=1
+M  V30 6 C 1.6653 -1.2598 0.0 0
+M  V30 7 O 1.6671 -2.4598 0.0 0
+M  V30 8 N -0.9355 -1.2598 0.0 0
+M  V30 9 O 2.7038 -0.6585 0.0 0
+M  V30 10 H -1.9746 -0.6596 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 3 1
+M  V30 2 1 5 1 CFG=1
+M  V30 3 1 3 2
+M  V30 4 1 3 4
+M  V30 5 1 5 8
+M  V30 6 1 5 6
+M  V30 7 2 6 7
+M  V30 8 1 6 9
+M  V30 9 1 8 10
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 5)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 10) XBONDS=(1 9) BRKXYZ=(9 0.519550 -0.300100 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS-
+M  V30 =LGRP
+M  V30 2 SUP 2 ATOMS=(1 9) XBONDS=(1 8) BRKXYZ=(9 -0.519250 -0.300650 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(8 1 2 3 4 5 6 7 8) XBONDS=(2 8 9) BRKXYZ=(9 0.519250 0.-
+M  V30 300650 0.000000 -0.519550 0.300100 0.000000 0.000000 0.000000 0.000000-
+M  V30 ) LABEL=L CLASS=AA SAP=(3 8 10 Al) SAP=(3 6 9 Br) NATREPLACE=AA/L
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 5 AA/Pro/P/ NATREPLACE=AA/P
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 9 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 0.0018 1.6555 0.0 0
+M  V30 2 C -1.4799 1.889 0.0 0
+M  V30 3 C -2.1599 0.5519 0.0 0
+M  V30 4 N -1.0984 -0.5079 0.0 0
+M  V30 5 C 0.2376 0.1741 0.0 0 CFG=2
+M  V30 6 C 1.5717 -0.5079 0.0 0
+M  V30 7 O 1.6336 -1.7063 0.0 0
+M  V30 8 O 2.5787 0.1448 0.0 0
+M  V30 9 H -1.2852 -1.6933 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 1 5 1 CFG=1
+M  V30 3 1 2 3
+M  V30 4 1 3 4
+M  V30 5 1 4 5
+M  V30 6 1 5 6
+M  V30 7 2 6 7
+M  V30 8 1 6 8
+M  V30 9 1 4 9
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 5)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 9) XBONDS=(1 9) BRKXYZ=(9 0.093400 0.592700 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=L-
+M  V30 GRP
+M  V30 2 SUP 2 ATOMS=(1 8) XBONDS=(1 8) BRKXYZ=(9 -0.503500 -0.326350 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(7 1 2 3 4 5 6 7) XBONDS=(2 9 8) BRKXYZ=(9 -0.093400 -0.-
+M  V30 592700 0.000000 0.503500 0.326350 0.000000 0.000000 0.000000 0.000000)-
+M  V30  LABEL=P CLASS=AA SAP=(3 4 9 Al) SAP=(3 6 8 Br) NATREPLACE=AA/P
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 END TEMPLATE
+M  END
diff --git a/Code/GraphMol/FileParsers/test_data/macromols/DnaBadPairs.mol b/Code/GraphMol/FileParsers/test_data/macromols/DnaBadPairs.mol
new file mode 100644
index 000000000..877598e2e
--- /dev/null
+++ b/Code/GraphMol/FileParsers/test_data/macromols/DnaBadPairs.mol
@@ -0,0 +1,299 @@
+
+  -INDIGO-01222508162D
+
+  0  0  0  0  0  0  0  0  0  0  0 V3000
+M  V30 BEGIN CTAB
+M  V30 COUNTS 10 10 0 0 0
+M  V30 BEGIN ATOM
+M  V30 1 R 32.9805 -18.1796 0.0 0 CLASS=SUGAR SEQID=1 ATTCHORD=(4 2 Cx 5 Br)
+M  V30 2 A 32.9805 -19.6796 0.0 0 CLASS=BASE SEQID=1 ATTCHORD=(4 1 Al 6 Ch)
+M  V30 3 R 35.9805 -18.1796 0.0 0 CLASS=SUGAR SEQID=2 ATTCHORD=(4 4 Cx 5 Al)
+M  V30 4 C 35.9805 -19.6796 0.0 0 CLASS=BASE SEQID=2 ATTCHORD=(4 3 Al 9 Ch)
+M  V30 5 P 34.4805 -18.1796 0.0 0 CLASS=PHOSPHATE SEQID=1 ATTCHORD=(4 1 Al 3 -
+M  V30 Br)
+M  V30 6 G 32.9805 -21.1796 0.0 0 CLASS=BASE SEQID=1 ATTCHORD=(4 7 Al 2 Ch)
+M  V30 7 R 32.9805 -22.6796 0.0 0 CLASS=SUGAR SEQID=1 ATTCHORD=(4 6 Cx 8 Br)
+M  V30 8 P 34.4805 -22.6796 0.0 0 CLASS=PHOSPHATE SEQID=1 ATTCHORD=(4 7 Al 10-
+M  V30  Br)
+M  V30 9 T 35.9805 -21.1796 0.0 0 CLASS=BASE SEQID=2 ATTCHORD=(4 10 Al 4 Ch)
+M  V30 10 R 35.9805 -22.6796 0.0 0 CLASS=SUGAR SEQID=2 ATTCHORD=(4 9 Cx 8 Al)
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 1 3 4
+M  V30 3 1 1 5
+M  V30 4 1 5 3
+M  V30 5 1 6 7
+M  V30 6 1 7 8
+M  V30 7 10 2 6
+M  V30 8 1 9 10
+M  V30 9 1 8 10
+M  V30 10 10 4 9
+M  V30 END BOND
+M  V30 END CTAB
+M  V30 BEGIN TEMPLATE
+M  V30 TEMPLATE 1 SUGAR/Rib/R NATREPLACE=SUGAR/R
+M  V30 BEGIN CTAB
+M  V30 COUNTS 12 12 4 0 0
+M  V30 BEGIN ATOM
+M  V30 1 O -1.1017 -1.0663 0.0 0
+M  V30 2 C -0.5897 0.3436 0.0 0 CFG=1
+M  V30 3 C 0.0809 -1.9889 0.0 0 CFG=2
+M  V30 4 C 0.9095 0.2924 0.0 0 CFG=2
+M  V30 5 C 1.3239 -1.1493 0.0 0 CFG=1
+M  V30 6 O 1.8285 1.4755 0.0 0
+M  V30 7 O 2.4518 -1.5589 0.0 0
+M  V30 8 C -1.431 1.5834 0.0 0
+M  V30 9 O 0.0399 -3.1881 0.0 0
+M  V30 10 O -2.9279 1.4755 0.0 0
+M  V30 11 H -3.6017 2.4684 0.0 0
+M  V30 12 H 3.0174 1.3125 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 1 1 3
+M  V30 3 1 2 4
+M  V30 4 1 2 8 CFG=3
+M  V30 5 1 3 5
+M  V30 6 1 3 9 CFG=3
+M  V30 7 1 4 5
+M  V30 8 1 4 6 CFG=1
+M  V30 9 1 5 7 CFG=1
+M  V30 10 1 6 12
+M  V30 11 1 8 10
+M  V30 12 1 10 11
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(4 2 3 4 5)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 11) XBONDS=(1 12) BRKXYZ=(9 0.336900 -0.496450 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
+M  V30 S=LGRP
+M  V30 2 SUP 2 ATOMS=(1 12) XBONDS=(1 10) BRKXYZ=(9 -0.594450 0.081500 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(1 9) XBONDS=(1 6) BRKXYZ=(9 0.020500 0.599600 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLASS=-
+M  V30 LGRP
+M  V30 4 SUP 4 ATOMS=(9 1 2 3 4 5 6 7 8 10) XBONDS=(3 6 10 12) BRKXYZ=(9 -0.0-
+M  V30 20500 -0.599600 0.000000 0.594450 -0.081500 0.000000 0.000000 0.000000-
+M  V30  0.000000) BRKXYZ=(9 -0.336900 0.496450 0.000000 0.000000 0.000000 0.0-
+M  V30 00000 0.000000 0.000000 0.000000) LABEL=R CLASS=SUGAR SAP=(3 10 11 Al)-
+M  V30  SAP=(3 6 12 Br) SAP=(3 3 9 Cx) NATREPLACE=SUGAR/R
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 2 BASE/Ade/A NATREPLACE=BASE/A
+M  V30 BEGIN CTAB
+M  V30 COUNTS 11 12 2 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.0354 0.2498 0.0 0
+M  V30 2 C -0.0792 -0.754 0.0 0
+M  V30 3 C -1.5057 -0.2906 0.0 0
+M  V30 4 N -1.8177 1.1766 0.0 0
+M  V30 5 C -0.7031 2.1804 0.0 0
+M  V30 6 N 0.7235 1.717 0.0 0
+M  V30 7 N -2.3871 -1.5034 0.0 0
+M  V30 8 C -1.5053 -2.7168 0.0 0
+M  V30 9 N -0.0787 -2.2532 0.0 0
+M  V30 10 N 2.1768 -0.1209 0.0 0
+M  V30 11 H -3.5871 -1.5034 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 10
+M  V30 2 2 1 6
+M  V30 3 1 1 2
+M  V30 4 1 9 2
+M  V30 5 2 2 3
+M  V30 6 1 7 3
+M  V30 7 1 3 4
+M  V30 8 2 4 5
+M  V30 9 1 5 6
+M  V30 10 1 7 8
+M  V30 11 1 7 11
+M  V30 12 2 8 9
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 11) XBONDS=(1 11) BRKXYZ=(9 0.600000 0.000000 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS-
+M  V30 =LGRP
+M  V30 2 SUP 2 ATOMS=(10 1 2 3 4 5 6 7 8 9 10) XBONDS=(1 11) BRKXYZ=(9 -0.600-
+M  V30 000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.0-
+M  V30 00000) LABEL=A CLASS=BASE SAP=(3 7 11 Al) SAP=(3 5 0 Ch) SAP=(3 6 0 Ch) SAP=(3 10 0 Ch) NATREPLACE=BASE/A
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 3 BASE/Gua/G NATREPLACE=BASE/G
+M  V30 BEGIN CTAB
+M  V30 COUNTS 12 13 2 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.0354 0.2498 0.0 0
+M  V30 2 C -0.0792 -0.754 0.0 0
+M  V30 3 C -1.5057 -0.2906 0.0 0
+M  V30 4 N -1.8177 1.1766 0.0 0
+M  V30 5 C -0.7031 2.1804 0.0 0
+M  V30 6 N 0.7235 1.717 0.0 0
+M  V30 7 N -2.3871 -1.5034 0.0 0
+M  V30 8 C -1.5053 -2.7168 0.0 0
+M  V30 9 N -0.0787 -2.2532 0.0 0
+M  V30 10 O 2.1768 -0.1209 0.0 0
+M  V30 11 N -0.9527 3.3542 0.0 0
+M  V30 12 H -3.5871 -1.5034 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 1 10
+M  V30 2 1 1 6
+M  V30 3 1 1 2
+M  V30 4 1 9 2
+M  V30 5 2 2 3
+M  V30 6 1 7 3
+M  V30 7 1 3 4
+M  V30 8 2 4 5
+M  V30 9 1 5 6
+M  V30 10 1 5 11
+M  V30 11 1 7 8
+M  V30 12 1 7 12
+M  V30 13 2 8 9
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 12) XBONDS=(1 12) BRKXYZ=(9 0.600000 0.000000 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS-
+M  V30 =LGRP
+M  V30 2 SUP 2 ATOMS=(11 1 2 3 4 5 6 7 8 9 10 11) XBONDS=(1 12) BRKXYZ=(9 -0.-
+M  V30 600000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -
+M  V30 0.000000) LABEL=G CLASS=BASE SAP=(3 7 12 Al) SAP=(3 11 0 Ch) SAP=(3 6 0 Ch) SAP=(3 10 0 Ch) NATREPLACE=BASE/G
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 4 PHOSPHATE/P/P NATREPLACE=PHOSPHATE/P
+M  V30 BEGIN CTAB
+M  V30 COUNTS 5 4 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 P -0.2399 0.0 0.0 0
+M  V30 2 O -1.4399 0.0 0.0 0
+M  V30 3 O 0.3598 -1.0394 0.0 0
+M  V30 4 O 0.9601 0.0 0.0 0
+M  V30 5 O 0.3598 1.0394 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 2 1 3
+M  V30 3 1 1 4
+M  V30 4 1 1 5
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 2) XBONDS=(1 1) BRKXYZ=(9 0.600000 0.000000 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 4) XBONDS=(1 3) BRKXYZ=(9 -0.600000 0.000000 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLASS-
+M  V30 =LGRP
+M  V30 3 SUP 3 ATOMS=(3 1 3 5) XBONDS=(2 1 3) BRKXYZ=(9 -0.600000 0.000000 0.-
+M  V30 000000 0.600000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=P -
+M  V30 CLASS=PHOSPHATE SAP=(3 1 2 Al) SAP=(3 1 4 Br) NATREPLACE=PHOSPHATE/P
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 5 BASE/Thy/T NATREPLACE=BASE/T
+M  V30 BEGIN CTAB
+M  V30 COUNTS 10 10 2 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.8617 1.3499 0.0 0
+M  V30 2 C 1.1117 0.0509 0.0 0
+M  V30 3 C -0.3883 0.0509 0.0 0
+M  V30 4 N -1.1382 1.35 0.0 0
+M  V30 5 C -0.3882 2.649 0.0 0
+M  V30 6 N 1.1117 2.6489 0.0 0
+M  V30 7 O 3.0618 1.3499 0.0 0
+M  V30 8 O -0.9882 3.6882 0.0 0
+M  V30 9 H -2.3383 1.35 0.0 0
+M  V30 10 C 1.7117 -0.9884 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 1 7
+M  V30 2 1 1 6
+M  V30 3 1 1 2
+M  V30 4 2 2 3
+M  V30 5 1 3 4
+M  V30 6 1 4 5
+M  V30 7 1 4 9
+M  V30 8 2 5 8
+M  V30 9 1 5 6
+M  V30 10 1 2 10
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 9) XBONDS=(1 7) BRKXYZ=(9 0.600050 0.000000 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=L-
+M  V30 GRP
+M  V30 2 SUP 2 ATOMS=(9 1 2 3 4 5 6 7 8 10) XBONDS=(1 7) BRKXYZ=(9 -0.600050 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.00000-
+M  V30 0) LABEL=T CLASS=BASE SAP=(3 4 9 Al) SAP=(3 8 0 Ch) SAP=(3 6 0 Ch) SAP=(3 7 0 Ch) NATREPLACE=BASE/T
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 6 BASE/Cyt/C NATREPLACE=BASE/C
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 9 2 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.8617 1.3499 0.0 0
+M  V30 2 C 1.1117 2.6489 0.0 0
+M  V30 3 C -0.3882 2.649 0.0 0
+M  V30 4 N -1.1382 1.35 0.0 0
+M  V30 5 C -0.3883 0.0509 0.0 0
+M  V30 6 N 1.1117 0.0509 0.0 0
+M  V30 7 N 3.0618 1.3499 0.0 0
+M  V30 8 O -0.9884 -0.9883 0.0 0
+M  V30 9 H -2.3383 1.35 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 2 1 6
+M  V30 3 1 1 7
+M  V30 4 2 2 3
+M  V30 5 1 3 4
+M  V30 6 1 4 5
+M  V30 7 1 4 9
+M  V30 8 1 5 6
+M  V30 9 2 5 8
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 9) XBONDS=(1 7) BRKXYZ=(9 0.600050 0.000000 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=L-
+M  V30 GRP
+M  V30 2 SUP 2 ATOMS=(8 1 2 3 4 5 6 7 8) XBONDS=(1 7) BRKXYZ=(9 -0.600050 0.0-
+M  V30 00000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) -
+M  V30 LABEL=C CLASS=BASE SAP=(3 4 9 Al) SAP=(3 8 0 Ch) SAP=(3 6 0 Ch) SAP=(3 7 0 Ch)  NATREPLACE=BASE/C
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 7 BASE/Cyt/C NATREPLACE=BASE/C
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 9 2 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.8617 1.3499 0.0 0
+M  V30 2 C 1.1117 2.6489 0.0 0
+M  V30 3 C -0.3882 2.649 0.0 0
+M  V30 4 N -1.1382 1.35 0.0 0
+M  V30 5 C -0.3883 0.0509 0.0 0
+M  V30 6 N 1.1117 0.0509 0.0 0
+M  V30 7 N 3.0618 1.3499 0.0 0
+M  V30 8 O -0.9884 -0.9883 0.0 0
+M  V30 9 H -2.3383 1.35 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 2 1 6
+M  V30 3 1 1 7
+M  V30 4 2 2 3
+M  V30 5 1 3 4
+M  V30 6 1 4 5
+M  V30 7 1 4 9
+M  V30 8 1 5 6
+M  V30 9 2 5 8
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 9) XBONDS=(1 7) BRKXYZ=(9 0.600050 0.000000 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=L-
+M  V30 GRP
+M  V30 2 SUP 2 ATOMS=(8 1 2 3 4 5 6 7 8) XBONDS=(1 7) BRKXYZ=(9 -0.600050 0.0-
+M  V30 00000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) -
+M  V30 LABEL=C CLASS=BASE SAP=(3 4 9 Al) SAP=(3 8 0 Ch) SAP=(3 6 0 Ch) SAP=(3 7 0 Ch)  NATREPLACE=BASE/C
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 END TEMPLATE
+M  END
diff --git a/Code/GraphMol/FileParsers/test_data/macromols/DnaBadPairs_NoCh.mol b/Code/GraphMol/FileParsers/test_data/macromols/DnaBadPairs_NoCh.mol
new file mode 100644
index 000000000..03410d75c
--- /dev/null
+++ b/Code/GraphMol/FileParsers/test_data/macromols/DnaBadPairs_NoCh.mol
@@ -0,0 +1,299 @@
+
+  -INDIGO-01222508162D
+
+  0  0  0  0  0  0  0  0  0  0  0 V3000
+M  V30 BEGIN CTAB
+M  V30 COUNTS 10 10 0 0 0
+M  V30 BEGIN ATOM
+M  V30 1 R 32.9805 -18.1796 0.0 0 CLASS=SUGAR SEQID=1 ATTCHORD=(4 2 Cx 5 Br)
+M  V30 2 A 32.9805 -19.6796 0.0 0 CLASS=BASE SEQID=1 ATTCHORD=(2 1 Al)
+M  V30 3 R 35.9805 -18.1796 0.0 0 CLASS=SUGAR SEQID=2 ATTCHORD=(4 4 Cx 5 Al)
+M  V30 4 C 35.9805 -19.6796 0.0 0 CLASS=BASE SEQID=2 ATTCHORD=(2 3 Al)
+M  V30 5 P 34.4805 -18.1796 0.0 0 CLASS=PHOSPHATE SEQID=1 ATTCHORD=(4 1 Al 3 -
+M  V30 Br)
+M  V30 6 G 32.9805 -21.1796 0.0 0 CLASS=BASE SEQID=1 ATTCHORD=(2 7 Al)
+M  V30 7 R 32.9805 -22.6796 0.0 0 CLASS=SUGAR SEQID=1 ATTCHORD=(4 6 Cx 8 Br)
+M  V30 8 P 34.4805 -22.6796 0.0 0 CLASS=PHOSPHATE SEQID=1 ATTCHORD=(4 7 Al 10-
+M  V30  Br)
+M  V30 9 T 35.9805 -21.1796 0.0 0 CLASS=BASE SEQID=2 ATTCHORD=(2 10 Al)
+M  V30 10 R 35.9805 -22.6796 0.0 0 CLASS=SUGAR SEQID=2 ATTCHORD=(4 9 Cx 8 Al)
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 1 3 4
+M  V30 3 1 1 5
+M  V30 4 1 5 3
+M  V30 5 1 6 7
+M  V30 6 1 7 8
+M  V30 7 10 2 6
+M  V30 8 1 9 10
+M  V30 9 1 8 10
+M  V30 10 10 4 9
+M  V30 END BOND
+M  V30 END CTAB
+M  V30 BEGIN TEMPLATE
+M  V30 TEMPLATE 1 SUGAR/Rib/R NATREPLACE=SUGAR/R
+M  V30 BEGIN CTAB
+M  V30 COUNTS 12 12 4 0 0
+M  V30 BEGIN ATOM
+M  V30 1 O -1.1017 -1.0663 0.0 0
+M  V30 2 C -0.5897 0.3436 0.0 0 CFG=1
+M  V30 3 C 0.0809 -1.9889 0.0 0 CFG=2
+M  V30 4 C 0.9095 0.2924 0.0 0 CFG=2
+M  V30 5 C 1.3239 -1.1493 0.0 0 CFG=1
+M  V30 6 O 1.8285 1.4755 0.0 0
+M  V30 7 O 2.4518 -1.5589 0.0 0
+M  V30 8 C -1.431 1.5834 0.0 0
+M  V30 9 O 0.0399 -3.1881 0.0 0
+M  V30 10 O -2.9279 1.4755 0.0 0
+M  V30 11 H -3.6017 2.4684 0.0 0
+M  V30 12 H 3.0174 1.3125 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 1 1 3
+M  V30 3 1 2 4
+M  V30 4 1 2 8 CFG=3
+M  V30 5 1 3 5
+M  V30 6 1 3 9 CFG=3
+M  V30 7 1 4 5
+M  V30 8 1 4 6 CFG=1
+M  V30 9 1 5 7 CFG=1
+M  V30 10 1 6 12
+M  V30 11 1 8 10
+M  V30 12 1 10 11
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(4 2 3 4 5)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 11) XBONDS=(1 12) BRKXYZ=(9 0.336900 -0.496450 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
+M  V30 S=LGRP
+M  V30 2 SUP 2 ATOMS=(1 12) XBONDS=(1 10) BRKXYZ=(9 -0.594450 0.081500 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(1 9) XBONDS=(1 6) BRKXYZ=(9 0.020500 0.599600 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLASS=-
+M  V30 LGRP
+M  V30 4 SUP 4 ATOMS=(9 1 2 3 4 5 6 7 8 10) XBONDS=(3 6 10 12) BRKXYZ=(9 -0.0-
+M  V30 20500 -0.599600 0.000000 0.594450 -0.081500 0.000000 0.000000 0.000000-
+M  V30  0.000000) BRKXYZ=(9 -0.336900 0.496450 0.000000 0.000000 0.000000 0.0-
+M  V30 00000 0.000000 0.000000 0.000000) LABEL=R CLASS=SUGAR SAP=(3 10 11 Al)-
+M  V30  SAP=(3 6 12 Br) SAP=(3 3 9 Cx) NATREPLACE=SUGAR/R
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 2 BASE/Ade/A NATREPLACE=BASE/A
+M  V30 BEGIN CTAB
+M  V30 COUNTS 11 12 2 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.0354 0.2498 0.0 0
+M  V30 2 C -0.0792 -0.754 0.0 0
+M  V30 3 C -1.5057 -0.2906 0.0 0
+M  V30 4 N -1.8177 1.1766 0.0 0
+M  V30 5 C -0.7031 2.1804 0.0 0
+M  V30 6 N 0.7235 1.717 0.0 0
+M  V30 7 N -2.3871 -1.5034 0.0 0
+M  V30 8 C -1.5053 -2.7168 0.0 0
+M  V30 9 N -0.0787 -2.2532 0.0 0
+M  V30 10 N 2.1768 -0.1209 0.0 0
+M  V30 11 H -3.5871 -1.5034 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 10
+M  V30 2 2 1 6
+M  V30 3 1 1 2
+M  V30 4 1 9 2
+M  V30 5 2 2 3
+M  V30 6 1 7 3
+M  V30 7 1 3 4
+M  V30 8 2 4 5
+M  V30 9 1 5 6
+M  V30 10 1 7 8
+M  V30 11 1 7 11
+M  V30 12 2 8 9
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 11) XBONDS=(1 11) BRKXYZ=(9 0.600000 0.000000 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS-
+M  V30 =LGRP
+M  V30 2 SUP 2 ATOMS=(10 1 2 3 4 5 6 7 8 9 10) XBONDS=(1 11) BRKXYZ=(9 -0.600-
+M  V30 000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.0-
+M  V30 00000) LABEL=A CLASS=BASE SAP=(3 7 11 Al) NATREPLACE=BASE/A
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 3 BASE/Gua/G NATREPLACE=BASE/G
+M  V30 BEGIN CTAB
+M  V30 COUNTS 12 13 2 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.0354 0.2498 0.0 0
+M  V30 2 C -0.0792 -0.754 0.0 0
+M  V30 3 C -1.5057 -0.2906 0.0 0
+M  V30 4 N -1.8177 1.1766 0.0 0
+M  V30 5 C -0.7031 2.1804 0.0 0
+M  V30 6 N 0.7235 1.717 0.0 0
+M  V30 7 N -2.3871 -1.5034 0.0 0
+M  V30 8 C -1.5053 -2.7168 0.0 0
+M  V30 9 N -0.0787 -2.2532 0.0 0
+M  V30 10 O 2.1768 -0.1209 0.0 0
+M  V30 11 N -0.9527 3.3542 0.0 0
+M  V30 12 H -3.5871 -1.5034 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 1 10
+M  V30 2 1 1 6
+M  V30 3 1 1 2
+M  V30 4 1 9 2
+M  V30 5 2 2 3
+M  V30 6 1 7 3
+M  V30 7 1 3 4
+M  V30 8 2 4 5
+M  V30 9 1 5 6
+M  V30 10 1 5 11
+M  V30 11 1 7 8
+M  V30 12 1 7 12
+M  V30 13 2 8 9
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 12) XBONDS=(1 12) BRKXYZ=(9 0.600000 0.000000 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS-
+M  V30 =LGRP
+M  V30 2 SUP 2 ATOMS=(11 1 2 3 4 5 6 7 8 9 10 11) XBONDS=(1 12) BRKXYZ=(9 -0.-
+M  V30 600000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -
+M  V30 0.000000) LABEL=G CLASS=BASE SAP=(3 7 12 Al) NATREPLACE=BASE/G
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 4 PHOSPHATE/P/P NATREPLACE=PHOSPHATE/P
+M  V30 BEGIN CTAB
+M  V30 COUNTS 5 4 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 P -0.2399 0.0 0.0 0
+M  V30 2 O -1.4399 0.0 0.0 0
+M  V30 3 O 0.3598 -1.0394 0.0 0
+M  V30 4 O 0.9601 0.0 0.0 0
+M  V30 5 O 0.3598 1.0394 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 2 1 3
+M  V30 3 1 1 4
+M  V30 4 1 1 5
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 2) XBONDS=(1 1) BRKXYZ=(9 0.600000 0.000000 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 4) XBONDS=(1 3) BRKXYZ=(9 -0.600000 0.000000 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLASS-
+M  V30 =LGRP
+M  V30 3 SUP 3 ATOMS=(3 1 3 5) XBONDS=(2 1 3) BRKXYZ=(9 -0.600000 0.000000 0.-
+M  V30 000000 0.600000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=P -
+M  V30 CLASS=PHOSPHATE SAP=(3 1 2 Al) SAP=(3 1 4 Br) NATREPLACE=PHOSPHATE/P
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 5 BASE/Thy/T NATREPLACE=BASE/T
+M  V30 BEGIN CTAB
+M  V30 COUNTS 10 10 2 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.8617 1.3499 0.0 0
+M  V30 2 C 1.1117 0.0509 0.0 0
+M  V30 3 C -0.3883 0.0509 0.0 0
+M  V30 4 N -1.1382 1.35 0.0 0
+M  V30 5 C -0.3882 2.649 0.0 0
+M  V30 6 N 1.1117 2.6489 0.0 0
+M  V30 7 O 3.0618 1.3499 0.0 0
+M  V30 8 O -0.9882 3.6882 0.0 0
+M  V30 9 H -2.3383 1.35 0.0 0
+M  V30 10 C 1.7117 -0.9884 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 1 7
+M  V30 2 1 1 6
+M  V30 3 1 1 2
+M  V30 4 2 2 3
+M  V30 5 1 3 4
+M  V30 6 1 4 5
+M  V30 7 1 4 9
+M  V30 8 2 5 8
+M  V30 9 1 5 6
+M  V30 10 1 2 10
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 9) XBONDS=(1 7) BRKXYZ=(9 0.600050 0.000000 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=L-
+M  V30 GRP
+M  V30 2 SUP 2 ATOMS=(9 1 2 3 4 5 6 7 8 10) XBONDS=(1 7) BRKXYZ=(9 -0.600050 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.00000-
+M  V30 0) LABEL=T CLASS=BASE SAP=(3 4 9 Al) NATREPLACE=BASE/T
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 6 BASE/Cyt/C NATREPLACE=BASE/C
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 9 2 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.8617 1.3499 0.0 0
+M  V30 2 C 1.1117 2.6489 0.0 0
+M  V30 3 C -0.3882 2.649 0.0 0
+M  V30 4 N -1.1382 1.35 0.0 0
+M  V30 5 C -0.3883 0.0509 0.0 0
+M  V30 6 N 1.1117 0.0509 0.0 0
+M  V30 7 N 3.0618 1.3499 0.0 0
+M  V30 8 O -0.9884 -0.9883 0.0 0
+M  V30 9 H -2.3383 1.35 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 2 1 6
+M  V30 3 1 1 7
+M  V30 4 2 2 3
+M  V30 5 1 3 4
+M  V30 6 1 4 5
+M  V30 7 1 4 9
+M  V30 8 1 5 6
+M  V30 9 2 5 8
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 9) XBONDS=(1 7) BRKXYZ=(9 0.600050 0.000000 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=L-
+M  V30 GRP
+M  V30 2 SUP 2 ATOMS=(8 1 2 3 4 5 6 7 8) XBONDS=(1 7) BRKXYZ=(9 -0.600050 0.0-
+M  V30 00000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) -
+M  V30 LABEL=C CLASS=BASE SAP=(3 4 9 Al) NATREPLACE=BASE/C
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 7 BASE/Cyt/C NATREPLACE=BASE/C
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 9 2 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.8617 1.3499 0.0 0
+M  V30 2 C 1.1117 2.6489 0.0 0
+M  V30 3 C -0.3882 2.649 0.0 0
+M  V30 4 N -1.1382 1.35 0.0 0
+M  V30 5 C -0.3883 0.0509 0.0 0
+M  V30 6 N 1.1117 0.0509 0.0 0
+M  V30 7 N 3.0618 1.3499 0.0 0
+M  V30 8 O -0.9884 -0.9883 0.0 0
+M  V30 9 H -2.3383 1.35 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 2 1 6
+M  V30 3 1 1 7
+M  V30 4 2 2 3
+M  V30 5 1 3 4
+M  V30 6 1 4 5
+M  V30 7 1 4 9
+M  V30 8 1 5 6
+M  V30 9 2 5 8
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 9) XBONDS=(1 7) BRKXYZ=(9 0.600050 0.000000 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=L-
+M  V30 GRP
+M  V30 2 SUP 2 ATOMS=(8 1 2 3 4 5 6 7 8) XBONDS=(1 7) BRKXYZ=(9 -0.600050 0.0-
+M  V30 00000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) -
+M  V30 LABEL=C CLASS=BASE SAP=(3 4 9 Al) NATREPLACE=BASE/C
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 END TEMPLATE
+M  END
diff --git a/Code/GraphMol/FileParsers/test_data/macromols/DnaTest.mol b/Code/GraphMol/FileParsers/test_data/macromols/DnaTest.mol
new file mode 100644
index 000000000..687959614
--- /dev/null
+++ b/Code/GraphMol/FileParsers/test_data/macromols/DnaTest.mol
@@ -0,0 +1,358 @@
+
+  -INDIGO-01162517422D
+
+  0  0  0  0  0  0  0  0  0  0  0 V3000
+M  V30 BEGIN CTAB
+M  V30 COUNTS 34 38 0 0 0
+M  V30 BEGIN ATOM
+M  V30 1 R 1.25 -1.25 0.0 0 CLASS=SUGAR SEQID=1 ATTCHORD=(4 2 Cx 5 Br)
+M  V30 2 A 1.25 -2.75 0.0 0 CLASS=BASE SEQID=1 ATTCHORD=(2 1 Al)
+M  V30 3 R 4.25 -1.25 0.0 0 CLASS=SUGAR SEQID=2 ATTCHORD=(6 4 Cx 5 Al 8 Br)
+M  V30 4 G 4.25 -2.75 0.0 0 CLASS=BASE SEQID=2 ATTCHORD=(2 3 Al)
+M  V30 5 P 2.75 -1.25 0.0 0 CLASS=PHOSPHATE SEQID=1 ATTCHORD=(4 1 Al 3 Br)
+M  V30 6 R 7.25 -1.25 0.0 0 CLASS=SUGAR SEQID=3 ATTCHORD=(6 7 Cx 8 Al 11 Br)
+M  V30 7 C 7.25 -2.75 0.0 0 CLASS=BASE SEQID=3 ATTCHORD=(2 6 Al)
+M  V30 8 P 5.75 -1.25 0.0 0 CLASS=PHOSPHATE SEQID=2 ATTCHORD=(4 3 Al 6 Br)
+M  V30 9 R 10.25 -1.25 0.0 0 CLASS=SUGAR SEQID=4 ATTCHORD=(6 10 Cx 11 Al 14 B-
+M  V30 r)
+M  V30 10 T 10.25 -2.75 0.0 0 CLASS=BASE SEQID=4 ATTCHORD=(2 9 Al)
+M  V30 11 P 8.75 -1.25 0.0 0 CLASS=PHOSPHATE SEQID=3 ATTCHORD=(4 6 Al 9 Br)
+M  V30 12 R 13.25 -1.25 0.0 0 CLASS=SUGAR SEQID=5 ATTCHORD=(6 13 Cx 14 Al 17 -
+M  V30 Br)
+M  V30 13 A 13.25 -2.75 0.0 0 CLASS=BASE SEQID=5 ATTCHORD=(2 12 Al)
+M  V30 14 P 11.75 -1.25 0.0 0 CLASS=PHOSPHATE SEQID=4 ATTCHORD=(4 9 Al 12 Br)
+M  V30 15 R 16.25 -1.25 0.0 0 CLASS=SUGAR SEQID=6 ATTCHORD=(4 16 Cx 17 Al)
+M  V30 16 G 16.25 -2.75 0.0 0 CLASS=BASE SEQID=6 ATTCHORD=(2 15 Al)
+M  V30 17 P 14.75 -1.25 0.0 0 CLASS=PHOSPHATE SEQID=5 ATTCHORD=(4 12 Al 15 Br-
+M  V30 )
+M  V30 18 U 1.25 -4.25 0.0 0 CLASS=BASE SEQID=1 ATTCHORD=(2 19 Al)
+M  V30 19 R 1.25 -5.75 0.0 0 CLASS=SUGAR SEQID=1 ATTCHORD=(4 18 Cx 20 Br)
+M  V30 20 P 2.75 -5.75 0.0 0 CLASS=PHOSPHATE SEQID=1 ATTCHORD=(4 19 Al 22 Br)
+M  V30 21 C 4.25 -4.25 0.0 0 CLASS=BASE SEQID=2 ATTCHORD=(2 22 Al)
+M  V30 22 R 4.25 -5.75 0.0 0 CLASS=SUGAR SEQID=2 ATTCHORD=(6 21 Cx 23 Br 20 A-
+M  V30 l)
+M  V30 23 P 5.75 -5.75 0.0 0 CLASS=PHOSPHATE SEQID=2 ATTCHORD=(4 22 Al 25 Br)
+M  V30 24 G 7.25 -4.25 0.0 0 CLASS=BASE SEQID=3 ATTCHORD=(2 25 Al)
+M  V30 25 R 7.25 -5.75 0.0 0 CLASS=SUGAR SEQID=3 ATTCHORD=(6 24 Cx 26 Br 23 A-
+M  V30 l)
+M  V30 26 P 8.75 -5.75 0.0 0 CLASS=PHOSPHATE SEQID=3 ATTCHORD=(4 25 Al 28 Br)
+M  V30 27 A 10.25 -4.25 0.0 0 CLASS=BASE SEQID=4 ATTCHORD=(2 28 Al)
+M  V30 28 R 10.25 -5.75 0.0 0 CLASS=SUGAR SEQID=4 ATTCHORD=(6 27 Cx 29 Br 26 -
+M  V30 Al)
+M  V30 29 P 11.75 -5.75 0.0 0 CLASS=PHOSPHATE SEQID=4 ATTCHORD=(4 28 Al 31 Br-
+M  V30 )
+M  V30 30 U 13.25 -4.25 0.0 0 CLASS=BASE SEQID=5 ATTCHORD=(2 31 Al)
+M  V30 31 R 13.25 -5.75 0.0 0 CLASS=SUGAR SEQID=5 ATTCHORD=(6 30 Cx 32 Br 29 -
+M  V30 Al)
+M  V30 32 P 14.75 -5.75 0.0 0 CLASS=PHOSPHATE SEQID=5 ATTCHORD=(4 31 Al 33 Br-
+M  V30 )
+M  V30 33 R 16.25 -5.75 0.0 0 CLASS=SUGAR SEQID=6 ATTCHORD=(4 34 Cx 32 Al)
+M  V30 34 C 16.25 -4.25 0.0 0 CLASS=BASE SEQID=6 ATTCHORD=(2 33 Al)
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 1 3 4
+M  V30 3 1 1 5
+M  V30 4 1 5 3
+M  V30 5 1 6 7
+M  V30 6 1 3 8
+M  V30 7 1 8 6
+M  V30 8 1 9 10
+M  V30 9 1 6 11
+M  V30 10 1 11 9
+M  V30 11 1 12 13
+M  V30 12 1 9 14
+M  V30 13 1 14 12
+M  V30 14 1 15 16
+M  V30 15 1 12 17
+M  V30 16 1 17 15
+M  V30 17 1 18 19
+M  V30 18 1 19 20
+M  V30 19 10 2 18
+M  V30 20 1 21 22
+M  V30 21 1 22 23
+M  V30 22 1 20 22
+M  V30 23 10 4 21
+M  V30 24 1 24 25
+M  V30 25 1 25 26
+M  V30 26 1 23 25
+M  V30 27 10 7 24
+M  V30 28 1 27 28
+M  V30 29 1 28 29
+M  V30 30 1 26 28
+M  V30 31 10 10 27
+M  V30 32 1 30 31
+M  V30 33 1 31 32
+M  V30 34 1 29 31
+M  V30 35 10 13 30
+M  V30 36 1 33 34
+M  V30 37 1 32 33
+M  V30 38 10 16 34
+M  V30 END BOND
+M  V30 END CTAB
+M  V30 BEGIN TEMPLATE
+M  V30 TEMPLATE 1 SUGAR/Rib/R NATREPLACE=SUGAR/R
+M  V30 BEGIN CTAB
+M  V30 COUNTS 12 12 4 0 0
+M  V30 BEGIN ATOM
+M  V30 1 O -1.1017 -1.0663 0.0 0
+M  V30 2 C -0.5897 0.3436 0.0 0 CFG=1
+M  V30 3 C 0.0809 -1.9889 0.0 0 CFG=2
+M  V30 4 C 0.9095 0.2924 0.0 0 CFG=2
+M  V30 5 C 1.3239 -1.1493 0.0 0 CFG=1
+M  V30 6 O 1.8285 1.4755 0.0 0
+M  V30 7 O 2.4518 -1.5589 0.0 0
+M  V30 8 C -1.431 1.5834 0.0 0
+M  V30 9 O 0.0399 -3.1881 0.0 0
+M  V30 10 O -2.9279 1.4755 0.0 0
+M  V30 11 H -3.6017 2.4684 0.0 0
+M  V30 12 H 3.0174 1.3125 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 1 1 3
+M  V30 3 1 2 4
+M  V30 4 1 2 8 CFG=3
+M  V30 5 1 3 5
+M  V30 6 1 3 9 CFG=3
+M  V30 7 1 4 5
+M  V30 8 1 4 6 CFG=1
+M  V30 9 1 5 7 CFG=1
+M  V30 10 1 6 12
+M  V30 11 1 8 10
+M  V30 12 1 10 11
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(4 2 3 4 5)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 11) XBONDS=(1 12) BRKXYZ=(9 0.336900 -0.496450 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
+M  V30 S=LGRP
+M  V30 2 SUP 2 ATOMS=(1 12) XBONDS=(1 10) BRKXYZ=(9 -0.594450 0.081500 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(1 9) XBONDS=(1 6) BRKXYZ=(9 0.020500 0.599600 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLASS=-
+M  V30 LGRP
+M  V30 4 SUP 4 ATOMS=(9 1 2 3 4 5 6 7 8 10) XBONDS=(3 6 10 12) BRKXYZ=(9 -0.0-
+M  V30 20500 -0.599600 0.000000 0.594450 -0.081500 0.000000 0.000000 0.000000-
+M  V30  0.000000) BRKXYZ=(9 -0.336900 0.496450 0.000000 0.000000 0.000000 0.0-
+M  V30 00000 0.000000 0.000000 0.000000) LABEL=R CLASS=SUGAR SAP=(3 10 11 Al)-
+M  V30  SAP=(3 6 12 Br) SAP=(3 3 9 Cx) NATREPLACE=SUGAR/R
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 2 BASE/Ade/A NATREPLACE=BASE/A
+M  V30 BEGIN CTAB
+M  V30 COUNTS 11 12 2 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.0354 0.2498 0.0 0
+M  V30 2 C -0.0792 -0.754 0.0 0
+M  V30 3 C -1.5057 -0.2906 0.0 0
+M  V30 4 N -1.8177 1.1766 0.0 0
+M  V30 5 C -0.7031 2.1804 0.0 0
+M  V30 6 N 0.7235 1.717 0.0 0
+M  V30 7 N -2.3871 -1.5034 0.0 0
+M  V30 8 C -1.5053 -2.7168 0.0 0
+M  V30 9 N -0.0787 -2.2532 0.0 0
+M  V30 10 N 2.1768 -0.1209 0.0 0
+M  V30 11 H -3.5871 -1.5034 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 10
+M  V30 2 2 1 6
+M  V30 3 1 1 2
+M  V30 4 1 9 2
+M  V30 5 2 2 3
+M  V30 6 1 7 3
+M  V30 7 1 3 4
+M  V30 8 2 4 5
+M  V30 9 1 5 6
+M  V30 10 1 7 8
+M  V30 11 1 7 11
+M  V30 12 2 8 9
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 11) XBONDS=(1 11) BRKXYZ=(9 0.600000 0.000000 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS-
+M  V30 =LGRP
+M  V30 2 SUP 2 ATOMS=(10 1 2 3 4 5 6 7 8 9 10) XBONDS=(1 11) BRKXYZ=(9 -0.600-
+M  V30 000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.0-
+M  V30 00000) LABEL=A CLASS=BASE SAP=(3 7 11 Al) NATREPLACE=BASE/A
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 3 BASE/Gua/G NATREPLACE=BASE/G
+M  V30 BEGIN CTAB
+M  V30 COUNTS 12 13 2 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.0354 0.2498 0.0 0
+M  V30 2 C -0.0792 -0.754 0.0 0
+M  V30 3 C -1.5057 -0.2906 0.0 0
+M  V30 4 N -1.8177 1.1766 0.0 0
+M  V30 5 C -0.7031 2.1804 0.0 0
+M  V30 6 N 0.7235 1.717 0.0 0
+M  V30 7 N -2.3871 -1.5034 0.0 0
+M  V30 8 C -1.5053 -2.7168 0.0 0
+M  V30 9 N -0.0787 -2.2532 0.0 0
+M  V30 10 O 2.1768 -0.1209 0.0 0
+M  V30 11 N -0.9527 3.3542 0.0 0
+M  V30 12 H -3.5871 -1.5034 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 1 10
+M  V30 2 1 1 6
+M  V30 3 1 1 2
+M  V30 4 1 9 2
+M  V30 5 2 2 3
+M  V30 6 1 7 3
+M  V30 7 1 3 4
+M  V30 8 2 4 5
+M  V30 9 1 5 6
+M  V30 10 1 5 11
+M  V30 11 1 7 8
+M  V30 12 1 7 12
+M  V30 13 2 8 9
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 12) XBONDS=(1 12) BRKXYZ=(9 0.600000 0.000000 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS-
+M  V30 =LGRP
+M  V30 2 SUP 2 ATOMS=(11 1 2 3 4 5 6 7 8 9 10 11) XBONDS=(1 12) BRKXYZ=(9 -0.-
+M  V30 600000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -
+M  V30 0.000000) LABEL=G CLASS=BASE SAP=(3 7 12 Al) NATREPLACE=BASE/G
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 4 PHOSPHATE/P/P NATREPLACE=PHOSPHATE/P
+M  V30 BEGIN CTAB
+M  V30 COUNTS 5 4 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 P -0.2399 0.0 0.0 0
+M  V30 2 O -1.4399 0.0 0.0 0
+M  V30 3 O 0.3598 -1.0394 0.0 0
+M  V30 4 O 0.9601 0.0 0.0 0
+M  V30 5 O 0.3598 1.0394 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 2 1 3
+M  V30 3 1 1 4
+M  V30 4 1 1 5
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 2) XBONDS=(1 1) BRKXYZ=(9 0.600000 0.000000 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 4) XBONDS=(1 3) BRKXYZ=(9 -0.600000 0.000000 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLASS-
+M  V30 =LGRP
+M  V30 3 SUP 3 ATOMS=(3 1 3 5) XBONDS=(2 1 3) BRKXYZ=(9 -0.600000 0.000000 0.-
+M  V30 000000 0.600000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=P -
+M  V30 CLASS=PHOSPHATE SAP=(3 1 2 Al) SAP=(3 1 4 Br) NATREPLACE=PHOSPHATE/P
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 5 BASE/Cyt/C NATREPLACE=BASE/C
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 9 2 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.8617 1.3499 0.0 0
+M  V30 2 C 1.1117 2.6489 0.0 0
+M  V30 3 C -0.3882 2.649 0.0 0
+M  V30 4 N -1.1382 1.35 0.0 0
+M  V30 5 C -0.3883 0.0509 0.0 0
+M  V30 6 N 1.1117 0.0509 0.0 0
+M  V30 7 N 3.0618 1.3499 0.0 0
+M  V30 8 O -0.9884 -0.9883 0.0 0
+M  V30 9 H -2.3383 1.35 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 2 1 6
+M  V30 3 1 1 7
+M  V30 4 2 2 3
+M  V30 5 1 3 4
+M  V30 6 1 4 5
+M  V30 7 1 4 9
+M  V30 8 1 5 6
+M  V30 9 2 5 8
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 9) XBONDS=(1 7) BRKXYZ=(9 0.600050 0.000000 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=L-
+M  V30 GRP
+M  V30 2 SUP 2 ATOMS=(8 1 2 3 4 5 6 7 8) XBONDS=(1 7) BRKXYZ=(9 -0.600050 0.0-
+M  V30 00000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) -
+M  V30 LABEL=C CLASS=BASE SAP=(3 4 9 Al) NATREPLACE=BASE/C
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 6 BASE/Thy/T NATREPLACE=BASE/T
+M  V30 BEGIN CTAB
+M  V30 COUNTS 10 10 2 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.8617 1.3499 0.0 0
+M  V30 2 C 1.1117 0.0509 0.0 0
+M  V30 3 C -0.3883 0.0509 0.0 0
+M  V30 4 N -1.1382 1.35 0.0 0
+M  V30 5 C -0.3882 2.649 0.0 0
+M  V30 6 N 1.1117 2.6489 0.0 0
+M  V30 7 O 3.0618 1.3499 0.0 0
+M  V30 8 O -0.9882 3.6882 0.0 0
+M  V30 9 H -2.3383 1.35 0.0 0
+M  V30 10 C 1.7117 -0.9884 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 1 7
+M  V30 2 1 1 6
+M  V30 3 1 1 2
+M  V30 4 2 2 3
+M  V30 5 1 3 4
+M  V30 6 1 4 5
+M  V30 7 1 4 9
+M  V30 8 2 5 8
+M  V30 9 1 5 6
+M  V30 10 1 2 10
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 9) XBONDS=(1 7) BRKXYZ=(9 0.600050 0.000000 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=L-
+M  V30 GRP
+M  V30 2 SUP 2 ATOMS=(9 1 2 3 4 5 6 7 8 10) XBONDS=(1 7) BRKXYZ=(9 -0.600050 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.00000-
+M  V30 0) LABEL=T CLASS=BASE SAP=(3 4 9 Al) NATREPLACE=BASE/T
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 7 BASE/Ura/U NATREPLACE=BASE/U
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 9 2 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.8617 1.3499 0.0 0
+M  V30 2 C 1.1117 0.0509 0.0 0
+M  V30 3 C -0.3883 0.0509 0.0 0
+M  V30 4 N -1.1382 1.35 0.0 0
+M  V30 5 C -0.3882 2.649 0.0 0
+M  V30 6 N 1.1117 2.6489 0.0 0
+M  V30 7 O 3.0618 1.3499 0.0 0
+M  V30 8 O -0.9882 3.6882 0.0 0
+M  V30 9 H -2.3383 1.35 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 1 7
+M  V30 2 1 1 6
+M  V30 3 1 1 2
+M  V30 4 2 2 3
+M  V30 5 1 3 4
+M  V30 6 1 4 5
+M  V30 7 1 4 9
+M  V30 8 2 5 8
+M  V30 9 1 5 6
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 9) XBONDS=(1 7) BRKXYZ=(9 0.600050 0.000000 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=L-
+M  V30 GRP
+M  V30 2 SUP 2 ATOMS=(8 1 2 3 4 5 6 7 8) XBONDS=(1 7) BRKXYZ=(9 -0.600050 0.0-
+M  V30 00000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) -
+M  V30 LABEL=U CLASS=BASE SAP=(3 4 9 Al) NATREPLACE=BASE/U
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 END TEMPLATE
+M  END
diff --git a/Code/GraphMol/FileParsers/test_data/macromols/DnaTest2.mol b/Code/GraphMol/FileParsers/test_data/macromols/DnaTest2.mol
new file mode 100644
index 000000000..6e64ed96f
--- /dev/null
+++ b/Code/GraphMol/FileParsers/test_data/macromols/DnaTest2.mol
@@ -0,0 +1,263 @@
+
+  -INDIGO-01222508162D
+
+  0  0  0  0  0  0  0  0  0  0  0 V3000
+M  V30 BEGIN CTAB
+M  V30 COUNTS 10 10 0 0 0
+M  V30 BEGIN ATOM
+M  V30 1 R 32.9805 -18.1796 0.0 0 CLASS=SUGAR SEQID=1 ATTCHORD=(4 2 Cx 5 Br)
+M  V30 2 A 32.9805 -19.6796 0.0 0 CLASS=BASE SEQID=1 ATTCHORD=(4 1 Al 6 Ch)
+M  V30 3 R 35.9805 -18.1796 0.0 0 CLASS=SUGAR SEQID=2 ATTCHORD=(4 4 Cx 5 Al)
+M  V30 4 G 35.9805 -19.6796 0.0 0 CLASS=BASE SEQID=2 ATTCHORD=(4 3 Al 9 Ch)
+M  V30 5 P 34.4805 -18.1796 0.0 0 CLASS=PHOSPHATE SEQID=1 ATTCHORD=(4 1 Al 3 -
+M  V30 Br)
+M  V30 6 U 32.9805 -21.1796 0.0 0 CLASS=BASE SEQID=1 ATTCHORD=(4 7 Al 2 Ch)
+M  V30 7 R 32.9805 -22.6796 0.0 0 CLASS=SUGAR SEQID=1 ATTCHORD=(4 6 Cx 8 Br)
+M  V30 8 P 34.4805 -22.6796 0.0 0 CLASS=PHOSPHATE SEQID=1 ATTCHORD=(4 7 Al 10-
+M  V30  Br)
+M  V30 9 C 35.9805 -21.1796 0.0 0 CLASS=BASE SEQID=2 ATTCHORD=(4 10 Al 4 Ch)
+M  V30 10 R 35.9805 -22.6796 0.0 0 CLASS=SUGAR SEQID=2 ATTCHORD=(4 9 Cx 8 Al)
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 1 3 4
+M  V30 3 1 1 5
+M  V30 4 1 5 3
+M  V30 5 1 6 7
+M  V30 6 1 7 8
+M  V30 7 10 2 6
+M  V30 8 1 9 10
+M  V30 9 1 8 10
+M  V30 10 10 4 9
+M  V30 END BOND
+M  V30 END CTAB
+M  V30 BEGIN TEMPLATE
+M  V30 TEMPLATE 1 SUGAR/Rib/R NATREPLACE=SUGAR/R
+M  V30 BEGIN CTAB
+M  V30 COUNTS 12 12 4 0 0
+M  V30 BEGIN ATOM
+M  V30 1 O -1.1017 -1.0663 0.0 0
+M  V30 2 C -0.5897 0.3436 0.0 0 CFG=1
+M  V30 3 C 0.0809 -1.9889 0.0 0 CFG=2
+M  V30 4 C 0.9095 0.2924 0.0 0 CFG=2
+M  V30 5 C 1.3239 -1.1493 0.0 0 CFG=1
+M  V30 6 O 1.8285 1.4755 0.0 0
+M  V30 7 O 2.4518 -1.5589 0.0 0
+M  V30 8 C -1.431 1.5834 0.0 0
+M  V30 9 O 0.0399 -3.1881 0.0 0
+M  V30 10 O -2.9279 1.4755 0.0 0
+M  V30 11 H -3.6017 2.4684 0.0 0
+M  V30 12 H 3.0174 1.3125 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 1 1 3
+M  V30 3 1 2 4
+M  V30 4 1 2 8 CFG=3
+M  V30 5 1 3 5
+M  V30 6 1 3 9 CFG=3
+M  V30 7 1 4 5
+M  V30 8 1 4 6 CFG=1
+M  V30 9 1 5 7 CFG=1
+M  V30 10 1 6 12
+M  V30 11 1 8 10
+M  V30 12 1 10 11
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(4 2 3 4 5)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 11) XBONDS=(1 12) BRKXYZ=(9 0.336900 -0.496450 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
+M  V30 S=LGRP
+M  V30 2 SUP 2 ATOMS=(1 12) XBONDS=(1 10) BRKXYZ=(9 -0.594450 0.081500 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(1 9) XBONDS=(1 6) BRKXYZ=(9 0.020500 0.599600 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLASS=-
+M  V30 LGRP
+M  V30 4 SUP 4 ATOMS=(9 1 2 3 4 5 6 7 8 10) XBONDS=(3 6 10 12) BRKXYZ=(9 -0.0-
+M  V30 20500 -0.599600 0.000000 0.594450 -0.081500 0.000000 0.000000 0.000000-
+M  V30  0.000000) BRKXYZ=(9 -0.336900 0.496450 0.000000 0.000000 0.000000 0.0-
+M  V30 00000 0.000000 0.000000 0.000000) LABEL=R CLASS=SUGAR SAP=(3 10 11 Al)-
+M  V30  SAP=(3 6 12 Br) SAP=(3 3 9 Cx) NATREPLACE=SUGAR/R
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 2 BASE/Ade/A NATREPLACE=BASE/A
+M  V30 BEGIN CTAB
+M  V30 COUNTS 11 12 2 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.0354 0.2498 0.0 0
+M  V30 2 C -0.0792 -0.754 0.0 0
+M  V30 3 C -1.5057 -0.2906 0.0 0
+M  V30 4 N -1.8177 1.1766 0.0 0
+M  V30 5 C -0.7031 2.1804 0.0 0
+M  V30 6 N 0.7235 1.717 0.0 0
+M  V30 7 N -2.3871 -1.5034 0.0 0
+M  V30 8 C -1.5053 -2.7168 0.0 0
+M  V30 9 N -0.0787 -2.2532 0.0 0
+M  V30 10 N 2.1768 -0.1209 0.0 0
+M  V30 11 H -3.5871 -1.5034 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 10
+M  V30 2 2 1 6
+M  V30 3 1 1 2
+M  V30 4 1 9 2
+M  V30 5 2 2 3
+M  V30 6 1 7 3
+M  V30 7 1 3 4
+M  V30 8 2 4 5
+M  V30 9 1 5 6
+M  V30 10 1 7 8
+M  V30 11 1 7 11
+M  V30 12 2 8 9
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 11) XBONDS=(1 11) BRKXYZ=(9 0.600000 0.000000 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS-
+M  V30 =LGRP
+M  V30 2 SUP 2 ATOMS=(10 1 2 3 4 5 6 7 8 9 10) XBONDS=(1 11) BRKXYZ=(9 -0.600-
+M  V30 000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.0-
+M  V30 00000) LABEL=A CLASS=BASE SAP=(3 7 11 Al) SAP=(3 5 0 Ch) SAP=(3 6 0 Ch) SAP=(3 10 0 Ch) NATREPLACE=BASE/A
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 3 BASE/Gua/G NATREPLACE=BASE/G
+M  V30 BEGIN CTAB
+M  V30 COUNTS 12 13 2 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.0354 0.2498 0.0 0
+M  V30 2 C -0.0792 -0.754 0.0 0
+M  V30 3 C -1.5057 -0.2906 0.0 0
+M  V30 4 N -1.8177 1.1766 0.0 0
+M  V30 5 C -0.7031 2.1804 0.0 0
+M  V30 6 N 0.7235 1.717 0.0 0
+M  V30 7 N -2.3871 -1.5034 0.0 0
+M  V30 8 C -1.5053 -2.7168 0.0 0
+M  V30 9 N -0.0787 -2.2532 0.0 0
+M  V30 10 O 2.1768 -0.1209 0.0 0
+M  V30 11 N -0.9527 3.3542 0.0 0
+M  V30 12 H -3.5871 -1.5034 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 1 10
+M  V30 2 1 1 6
+M  V30 3 1 1 2
+M  V30 4 1 9 2
+M  V30 5 2 2 3
+M  V30 6 1 7 3
+M  V30 7 1 3 4
+M  V30 8 2 4 5
+M  V30 9 1 5 6
+M  V30 10 1 5 11
+M  V30 11 1 7 8
+M  V30 12 1 7 12
+M  V30 13 2 8 9
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 12) XBONDS=(1 12) BRKXYZ=(9 0.600000 0.000000 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS-
+M  V30 =LGRP
+M  V30 2 SUP 2 ATOMS=(11 1 2 3 4 5 6 7 8 9 10 11) XBONDS=(1 12) BRKXYZ=(9 -0.-
+M  V30 600000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -
+M  V30 0.000000) LABEL=G CLASS=BASE SAP=(3 7 12 Al) SAP=(3 11 0 Ch) SAP=(3 6 0 Ch) SAP=(3 10 0 Ch) NATREPLACE=BASE/G
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 4 PHOSPHATE/P/P NATREPLACE=PHOSPHATE/P
+M  V30 BEGIN CTAB
+M  V30 COUNTS 5 4 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 P -0.2399 0.0 0.0 0
+M  V30 2 O -1.4399 0.0 0.0 0
+M  V30 3 O 0.3598 -1.0394 0.0 0
+M  V30 4 O 0.9601 0.0 0.0 0
+M  V30 5 O 0.3598 1.0394 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 2 1 3
+M  V30 3 1 1 4
+M  V30 4 1 1 5
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 2) XBONDS=(1 1) BRKXYZ=(9 0.600000 0.000000 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 4) XBONDS=(1 3) BRKXYZ=(9 -0.600000 0.000000 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLASS-
+M  V30 =LGRP
+M  V30 3 SUP 3 ATOMS=(3 1 3 5) XBONDS=(2 1 3) BRKXYZ=(9 -0.600000 0.000000 0.-
+M  V30 000000 0.600000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=P -
+M  V30 CLASS=PHOSPHATE SAP=(3 1 2 Al) SAP=(3 1 4 Br) NATREPLACE=PHOSPHATE/P
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 5 BASE/Ura/U NATREPLACE=BASE/U
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 9 2 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.8617 1.3499 0.0 0
+M  V30 2 C 1.1117 0.0509 0.0 0
+M  V30 3 C -0.3883 0.0509 0.0 0
+M  V30 4 N -1.1382 1.35 0.0 0
+M  V30 5 C -0.3882 2.649 0.0 0
+M  V30 6 N 1.1117 2.6489 0.0 0
+M  V30 7 O 3.0618 1.3499 0.0 0
+M  V30 8 O -0.9882 3.6882 0.0 0
+M  V30 9 H -2.3383 1.35 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 1 7
+M  V30 2 1 1 6
+M  V30 3 1 1 2
+M  V30 4 2 2 3
+M  V30 5 1 3 4
+M  V30 6 1 4 5
+M  V30 7 1 4 9
+M  V30 8 2 5 8
+M  V30 9 1 5 6
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 9) XBONDS=(1 7) BRKXYZ=(9 0.600050 0.000000 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=L-
+M  V30 GRP
+M  V30 2 SUP 2 ATOMS=(8 1 2 3 4 5 6 7 8) XBONDS=(1 7) BRKXYZ=(9 -0.600050 0.0-
+M  V30 00000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) -
+M  V30 LABEL=U CLASS=BASE SAP=(3 4 9 Al) SAP=(3 8 0 Ch) SAP=(3 6 0 Ch) SAP=(3 7 0 Ch) NATREPLACE=BASE/U
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 6 BASE/Cyt/C NATREPLACE=BASE/C
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 9 2 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.8617 1.3499 0.0 0
+M  V30 2 C 1.1117 2.6489 0.0 0
+M  V30 3 C -0.3882 2.649 0.0 0
+M  V30 4 N -1.1382 1.35 0.0 0
+M  V30 5 C -0.3883 0.0509 0.0 0
+M  V30 6 N 1.1117 0.0509 0.0 0
+M  V30 7 N 3.0618 1.3499 0.0 0
+M  V30 8 O -0.9884 -0.9883 0.0 0
+M  V30 9 H -2.3383 1.35 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 2 1 6
+M  V30 3 1 1 7
+M  V30 4 2 2 3
+M  V30 5 1 3 4
+M  V30 6 1 4 5
+M  V30 7 1 4 9
+M  V30 8 1 5 6
+M  V30 9 2 5 8
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 9) XBONDS=(1 7) BRKXYZ=(9 0.600050 0.000000 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=L-
+M  V30 GRP
+M  V30 2 SUP 2 ATOMS=(8 1 2 3 4 5 6 7 8) XBONDS=(1 7) BRKXYZ=(9 -0.600050 0.0-
+M  V30 00000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) -
+M  V30 LABEL=C CLASS=BASE SAP=(3 4 9 Al) SAP=(3 8 0 Ch) SAP=(3 6 0 Ch) SAP=(3 7 0 Ch)  NATREPLACE=BASE/C
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 END TEMPLATE
+M  END
diff --git a/Code/GraphMol/FileParsers/test_data/macromols/DnaTest3.mol b/Code/GraphMol/FileParsers/test_data/macromols/DnaTest3.mol
new file mode 100644
index 000000000..7032488d6
--- /dev/null
+++ b/Code/GraphMol/FileParsers/test_data/macromols/DnaTest3.mol
@@ -0,0 +1,374 @@
+
+  -INDIGO-01232511012D
+
+  0  0  0  0  0  0  0  0  0  0  0 V3000
+M  V30 BEGIN CTAB
+M  V30 COUNTS 22 24 0 0 0
+M  V30 BEGIN ATOM
+M  V30 1 dR 1.25 -1.25 0.0 0 CLASS=SUGAR SEQID=1 ATTCHORD=(4 2 Cx 5 Br)
+M  V30 2 A 1.25 -2.75 0.0 0 CLASS=BASE SEQID=1 ATTCHORD=(4 1 Al 11 Ch)
+M  V30 3 dR 4.25 -1.25 0.0 0 CLASS=SUGAR SEQID=2 ATTCHORD=(6 4 Cx 5 Al 8 Br)
+M  V30 4 C 4.25 -2.75 0.0 0 CLASS=BASE SEQID=2 ATTCHORD=(4 3 Al 14 Ch)
+M  V30 5 P 2.75 -1.25 0.0 0 CLASS=PHOSPHATE SEQID=1 ATTCHORD=(4 1 Al 3 Br)
+M  V30 6 dR 7.25 -1.25 0.0 0 CLASS=SUGAR SEQID=3 ATTCHORD=(6 7 Cx 8 Al 10 Br)
+M  V30 7 T 7.25 -2.75 0.0 0 CLASS=BASE SEQID=3 ATTCHORD=(4 6 Al 17 Ch)
+M  V30 8 P 5.75 -1.25 0.0 0 CLASS=PHOSPHATE SEQID=2 ATTCHORD=(4 6 Br 3 Al)
+M  V30 9 dR 10.25 -1.25 0.0 0 CLASS=SUGAR SEQID=4 ATTCHORD=(4 10 Al 21 Cx)
+M  V30 10 P 8.75 -1.25 0.0 0 CLASS=PHOSPHATE SEQID=3 ATTCHORD=(4 6 Al 9 Br)
+M  V30 11 U 1.25 -4.25 0.0 0 CLASS=BASE SEQID=1 ATTCHORD=(4 12 Al 2 Ch)
+M  V30 12 R 1.25 -5.75 0.0 0 CLASS=SUGAR SEQID=1 ATTCHORD=(4 11 Cx 13 Br)
+M  V30 13 P 2.75 -5.75 0.0 0 CLASS=PHOSPHATE SEQID=1 ATTCHORD=(4 12 Al 15 Br)
+M  V30 14 G 4.25 -4.25 0.0 0 CLASS=BASE SEQID=2 ATTCHORD=(4 15 Al 4 Ch)
+M  V30 15 R 4.25 -5.75 0.0 0 CLASS=SUGAR SEQID=2 ATTCHORD=(6 14 Cx 13 Al 16 B-
+M  V30 r)
+M  V30 16 P 5.75 -5.75 0.0 0 CLASS=PHOSPHATE SEQID=2 ATTCHORD=(4 18 Br 15 Al)
+M  V30 17 A 7.25 -4.25 0.0 0 CLASS=BASE SEQID=3 ATTCHORD=(4 18 Al 7 Ch)
+M  V30 18 R 7.25 -5.75 0.0 0 CLASS=SUGAR SEQID=3 ATTCHORD=(6 17 Cx 19 Br 16 A-
+M  V30 l)
+M  V30 19 P 8.75 -5.75 0.0 0 CLASS=PHOSPHATE SEQID=3 ATTCHORD=(4 18 Al 20 Br)
+M  V30 20 R 10.25 -5.75 0.0 0 CLASS=SUGAR SEQID=4 ATTCHORD=(4 19 Al 22 Cx)
+M  V30 21 G 10.25 -2.75 0.0 0 CLASS=BASE SEQID=4 ATTCHORD=(4 9 Al 22 Ch)
+M  V30 22 U 10.25 -4.25 0.0 0 CLASS=BASE SEQID=4 ATTCHORD=(4 20 Al 21 Ch)
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 1 3 4
+M  V30 3 1 1 5
+M  V30 4 1 5 3
+M  V30 5 1 6 7
+M  V30 6 1 8 6
+M  V30 7 1 6 10
+M  V30 8 1 10 9
+M  V30 9 1 11 12
+M  V30 10 1 12 13
+M  V30 11 10 2 11
+M  V30 12 1 14 15
+M  V30 13 1 13 15
+M  V30 14 10 4 14
+M  V30 15 1 17 18
+M  V30 16 1 18 19
+M  V30 17 1 16 18
+M  V30 18 10 7 17
+M  V30 19 1 19 20
+M  V30 20 1 22 20
+M  V30 21 1 9 21
+M  V30 22 10 21 22
+M  V30 23 1 3 8
+M  V30 24 1 15 16
+M  V30 END BOND
+M  V30 END CTAB
+M  V30 BEGIN TEMPLATE
+M  V30 TEMPLATE 1 SUGAR/dRib/dR NATREPLACE=SUGAR/R
+M  V30 BEGIN CTAB
+M  V30 COUNTS 11 11 4 0 0
+M  V30 BEGIN ATOM
+M  V30 1 O -0.8788 -1.208 0.0 0
+M  V30 2 C -0.3668 0.2019 0.0 0 CFG=1
+M  V30 3 C 0.3038 -2.1307 0.0 0 CFG=2
+M  V30 4 C 1.1323 0.1506 0.0 0 CFG=2
+M  V30 5 C 1.5468 -1.291 0.0 0
+M  V30 6 O 2.0515 1.3338 0.0 0
+M  V30 7 C -1.2081 1.4417 0.0 0
+M  V30 8 O 0.2628 -3.3299 0.0 0
+M  V30 9 O -2.705 1.3338 0.0 0
+M  V30 10 H -3.3788 2.3267 0.0 0
+M  V30 11 H 3.2403 1.1709 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 1 1 3
+M  V30 3 1 2 4
+M  V30 4 1 2 7 CFG=3
+M  V30 5 1 3 5
+M  V30 6 1 3 8 CFG=3
+M  V30 7 1 4 5
+M  V30 8 1 4 6 CFG=1
+M  V30 9 1 6 11
+M  V30 10 1 7 9
+M  V30 11 1 9 10
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(3 2 3 4)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 10) XBONDS=(1 11) BRKXYZ=(9 0.336900 -0.496450 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
+M  V30 S=LGRP
+M  V30 2 SUP 2 ATOMS=(1 11) XBONDS=(1 9) BRKXYZ=(9 -0.594400 0.081450 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS-
+M  V30 =LGRP
+M  V30 3 SUP 3 ATOMS=(1 8) XBONDS=(1 6) BRKXYZ=(9 0.020500 0.599600 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLASS=-
+M  V30 LGRP
+M  V30 4 SUP 4 ATOMS=(8 1 2 3 4 5 6 7 9) XBONDS=(3 6 9 11) BRKXYZ=(9 -0.02050-
+M  V30 0 -0.599600 0.000000 0.594400 -0.081450 0.000000 0.000000 0.000000 0.0-
+M  V30 00000) BRKXYZ=(9 -0.336900 0.496450 0.000000 0.000000 0.000000 0.00000-
+M  V30 0 0.000000 0.000000 0.000000) LABEL=dR CLASS=SUGAR SAP=(3 9 10 Al) SAP-
+M  V30 =(3 6 11 Br) SAP=(3 3 8 Cx) NATREPLACE=SUGAR/R
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 2 BASE/Ade/A NATREPLACE=BASE/A
+M  V30 BEGIN CTAB
+M  V30 COUNTS 11 12 2 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.0354 0.2498 0.0 0
+M  V30 2 C -0.0792 -0.754 0.0 0
+M  V30 3 C -1.5057 -0.2906 0.0 0
+M  V30 4 N -1.8177 1.1766 0.0 0
+M  V30 5 C -0.7031 2.1804 0.0 0
+M  V30 6 N 0.7235 1.717 0.0 0
+M  V30 7 N -2.3871 -1.5034 0.0 0
+M  V30 8 C -1.5053 -2.7168 0.0 0
+M  V30 9 N -0.0787 -2.2532 0.0 0
+M  V30 10 N 2.1768 -0.1209 0.0 0
+M  V30 11 H -3.5871 -1.5034 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 10
+M  V30 2 2 1 6
+M  V30 3 1 1 2
+M  V30 4 1 9 2
+M  V30 5 2 2 3
+M  V30 6 1 7 3
+M  V30 7 1 3 4
+M  V30 8 2 4 5
+M  V30 9 1 5 6
+M  V30 10 1 7 8
+M  V30 11 1 7 11
+M  V30 12 2 8 9
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 11) XBONDS=(1 11) BRKXYZ=(9 0.600000 0.000000 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS-
+M  V30 =LGRP
+M  V30 2 SUP 2 ATOMS=(10 1 2 3 4 5 6 7 8 9 10) XBONDS=(1 11) BRKXYZ=(9 -0.600-
+M  V30 000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.0-
+M  V30 00000) LABEL=A CLASS=BASE SAP=(3 7 11 Al) SAP=(3 5 0 Ch) SAP=(3 6 0 Ch) SAP=(3 10 0 Ch) NATREPLACE=BASE/A
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 3 BASE/Cyt/C NATREPLACE=BASE/C
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 9 2 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.8617 1.3499 0.0 0
+M  V30 2 C 1.1117 2.6489 0.0 0
+M  V30 3 C -0.3882 2.649 0.0 0
+M  V30 4 N -1.1382 1.35 0.0 0
+M  V30 5 C -0.3883 0.0509 0.0 0
+M  V30 6 N 1.1117 0.0509 0.0 0
+M  V30 7 N 3.0618 1.3499 0.0 0
+M  V30 8 O -0.9884 -0.9883 0.0 0
+M  V30 9 H -2.3383 1.35 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 2 1 6
+M  V30 3 1 1 7
+M  V30 4 2 2 3
+M  V30 5 1 3 4
+M  V30 6 1 4 5
+M  V30 7 1 4 9
+M  V30 8 1 5 6
+M  V30 9 2 5 8
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 9) XBONDS=(1 7) BRKXYZ=(9 0.600050 0.000000 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=L-
+M  V30 GRP
+M  V30 2 SUP 2 ATOMS=(8 1 2 3 4 5 6 7 8) XBONDS=(1 7) BRKXYZ=(9 -0.600050 0.0-
+M  V30 00000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) -
+M  V30 LABEL=C CLASS=BASE SAP=(3 4 9 Al) SAP=(3 8 0 Ch) SAP=(3 6 0 Ch) SAP=(3 7 0 Ch)  NATREPLACE=BASE/C
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 4 PHOSPHATE/P/P NATREPLACE=PHOSPHATE/P
+M  V30 BEGIN CTAB
+M  V30 COUNTS 5 4 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 P -0.2399 0.0 0.0 0
+M  V30 2 O -1.4399 0.0 0.0 0
+M  V30 3 O 0.3598 -1.0394 0.0 0
+M  V30 4 O 0.9601 0.0 0.0 0
+M  V30 5 O 0.3598 1.0394 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 2 1 3
+M  V30 3 1 1 4
+M  V30 4 1 1 5
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 2) XBONDS=(1 1) BRKXYZ=(9 0.600000 0.000000 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 4) XBONDS=(1 3) BRKXYZ=(9 -0.600000 0.000000 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLASS-
+M  V30 =LGRP
+M  V30 3 SUP 3 ATOMS=(3 1 3 5) XBONDS=(2 1 3) BRKXYZ=(9 -0.600000 0.000000 0.-
+M  V30 000000 0.600000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=P -
+M  V30 CLASS=PHOSPHATE SAP=(3 1 2 Al) SAP=(3 1 4 Br) NATREPLACE=PHOSPHATE/P
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 5 BASE/Thy/T NATREPLACE=BASE/T
+M  V30 BEGIN CTAB
+M  V30 COUNTS 10 10 2 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.8617 1.3499 0.0 0
+M  V30 2 C 1.1117 0.0509 0.0 0
+M  V30 3 C -0.3883 0.0509 0.0 0
+M  V30 4 N -1.1382 1.35 0.0 0
+M  V30 5 C -0.3882 2.649 0.0 0
+M  V30 6 N 1.1117 2.6489 0.0 0
+M  V30 7 O 3.0618 1.3499 0.0 0
+M  V30 8 O -0.9882 3.6882 0.0 0
+M  V30 9 H -2.3383 1.35 0.0 0
+M  V30 10 C 1.7117 -0.9884 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 1 7
+M  V30 2 1 1 6
+M  V30 3 1 1 2
+M  V30 4 2 2 3
+M  V30 5 1 3 4
+M  V30 6 1 4 5
+M  V30 7 1 4 9
+M  V30 8 2 5 8
+M  V30 9 1 5 6
+M  V30 10 1 2 10
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 9) XBONDS=(1 7) BRKXYZ=(9 0.600050 0.000000 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=L-
+M  V30 GRP
+M  V30 2 SUP 2 ATOMS=(9 1 2 3 4 5 6 7 8 10) XBONDS=(1 7) BRKXYZ=(9 -0.600050 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.00000-
+M  V30 0) LABEL=T CLASS=BASE SAP=(3 4 9 Al) SAP=(3 8 0 Ch) SAP=(3 6 0 Ch) SAP=(3 7 0 Ch) NATREPLACE=BASE/T
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 6 BASE/Ura/U NATREPLACE=BASE/U
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 9 2 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.8617 1.3499 0.0 0
+M  V30 2 C 1.1117 0.0509 0.0 0
+M  V30 3 C -0.3883 0.0509 0.0 0
+M  V30 4 N -1.1382 1.35 0.0 0
+M  V30 5 C -0.3882 2.649 0.0 0
+M  V30 6 N 1.1117 2.6489 0.0 0
+M  V30 7 O 3.0618 1.3499 0.0 0
+M  V30 8 O -0.9882 3.6882 0.0 0
+M  V30 9 H -2.3383 1.35 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 1 7
+M  V30 2 1 1 6
+M  V30 3 1 1 2
+M  V30 4 2 2 3
+M  V30 5 1 3 4
+M  V30 6 1 4 5
+M  V30 7 1 4 9
+M  V30 8 2 5 8
+M  V30 9 1 5 6
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 9) XBONDS=(1 7) BRKXYZ=(9 0.600050 0.000000 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=L-
+M  V30 GRP
+M  V30 2 SUP 2 ATOMS=(8 1 2 3 4 5 6 7 8) XBONDS=(1 7) BRKXYZ=(9 -0.600050 0.0-
+M  V30 00000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) -
+M  V30 LABEL=U CLASS=BASE SAP=(3 4 9 Al) SAP=(3 8 0 Ch) SAP=(3 6 0 Ch) SAP=(3 7 0 Ch) NATREPLACE=BASE/U
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 7 SUGAR/Rib/R NATREPLACE=SUGAR/R
+M  V30 BEGIN CTAB
+M  V30 COUNTS 12 12 4 0 0
+M  V30 BEGIN ATOM
+M  V30 1 O -1.1017 -1.0663 0.0 0
+M  V30 2 C -0.5897 0.3436 0.0 0 CFG=1
+M  V30 3 C 0.0809 -1.9889 0.0 0 CFG=2
+M  V30 4 C 0.9095 0.2924 0.0 0 CFG=2
+M  V30 5 C 1.3239 -1.1493 0.0 0 CFG=1
+M  V30 6 O 1.8285 1.4755 0.0 0
+M  V30 7 O 2.4518 -1.5589 0.0 0
+M  V30 8 C -1.431 1.5834 0.0 0
+M  V30 9 O 0.0399 -3.1881 0.0 0
+M  V30 10 O -2.9279 1.4755 0.0 0
+M  V30 11 H -3.6017 2.4684 0.0 0
+M  V30 12 H 3.0174 1.3125 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 1 1 3
+M  V30 3 1 2 4
+M  V30 4 1 2 8 CFG=3
+M  V30 5 1 3 5
+M  V30 6 1 3 9 CFG=3
+M  V30 7 1 4 5
+M  V30 8 1 4 6 CFG=1
+M  V30 9 1 5 7 CFG=1
+M  V30 10 1 6 12
+M  V30 11 1 8 10
+M  V30 12 1 10 11
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(4 2 3 4 5)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 11) XBONDS=(1 12) BRKXYZ=(9 0.336900 -0.496450 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
+M  V30 S=LGRP
+M  V30 2 SUP 2 ATOMS=(1 12) XBONDS=(1 10) BRKXYZ=(9 -0.594450 0.081500 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(1 9) XBONDS=(1 6) BRKXYZ=(9 0.020500 0.599600 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLASS=-
+M  V30 LGRP
+M  V30 4 SUP 4 ATOMS=(9 1 2 3 4 5 6 7 8 10) XBONDS=(3 6 10 12) BRKXYZ=(9 -0.0-
+M  V30 20500 -0.599600 0.000000 0.594450 -0.081500 0.000000 0.000000 0.000000-
+M  V30  0.000000) BRKXYZ=(9 -0.336900 0.496450 0.000000 0.000000 0.000000 0.0-
+M  V30 00000 0.000000 0.000000 0.000000) LABEL=R CLASS=SUGAR SAP=(3 10 11 Al)-
+M  V30  SAP=(3 6 12 Br) SAP=(3 3 9 Cx) NATREPLACE=SUGAR/R
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 8 BASE/Gua/G NATREPLACE=BASE/G
+M  V30 BEGIN CTAB
+M  V30 COUNTS 12 13 2 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.0354 0.2498 0.0 0
+M  V30 2 C -0.0792 -0.754 0.0 0
+M  V30 3 C -1.5057 -0.2906 0.0 0
+M  V30 4 N -1.8177 1.1766 0.0 0
+M  V30 5 C -0.7031 2.1804 0.0 0
+M  V30 6 N 0.7235 1.717 0.0 0
+M  V30 7 N -2.3871 -1.5034 0.0 0
+M  V30 8 C -1.5053 -2.7168 0.0 0
+M  V30 9 N -0.0787 -2.2532 0.0 0
+M  V30 10 O 2.1768 -0.1209 0.0 0
+M  V30 11 N -0.9527 3.3542 0.0 0
+M  V30 12 H -3.5871 -1.5034 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 1 10
+M  V30 2 1 1 6
+M  V30 3 1 1 2
+M  V30 4 1 9 2
+M  V30 5 2 2 3
+M  V30 6 1 7 3
+M  V30 7 1 3 4
+M  V30 8 2 4 5
+M  V30 9 1 5 6
+M  V30 10 1 5 11
+M  V30 11 1 7 8
+M  V30 12 1 7 12
+M  V30 13 2 8 9
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 12) XBONDS=(1 12) BRKXYZ=(9 0.600000 0.000000 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS-
+M  V30 =LGRP
+M  V30 2 SUP 2 ATOMS=(11 1 2 3 4 5 6 7 8 9 10 11) XBONDS=(1 12) BRKXYZ=(9 -0.-
+M  V30 600000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -
+M  V30 0.000000) LABEL=G CLASS=BASE SAP=(3 7 12 Al) SAP=(3 11 0 Ch) SAP=(3 6 0 Ch) SAP=(3 10 0 Ch) NATREPLACE=BASE/G
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 END TEMPLATE
+M  END
diff --git a/Code/GraphMol/FileParsers/test_data/macromols/FromBioviaDoc.mol b/Code/GraphMol/FileParsers/test_data/macromols/FromBioviaDoc.mol
new file mode 100644
index 000000000..ccc999f4f
--- /dev/null
+++ b/Code/GraphMol/FileParsers/test_data/macromols/FromBioviaDoc.mol
@@ -0,0 +1,125 @@
+1 A G meS A G
+ACCLDraw03281611052D
+
+  0  0  0     0  0            999 V3000
+M  V30 BEGIN CTAB
+M  V30 COUNTS 5 4 1 0 1
+M  V30 BEGIN ATOM
+M  V30 1 Ala 1.5563 -9.2328 0 0 CLASS=AA ATTCHORD=(2 2 Br) SEQID=1
+M  V30 2 Gly 2.7137 -9.23 0 0 CLASS=AA ATTCHORD=(4 3 Br 1 Al) SEQID=2
+M  V30 3 meS 3.8712 -9.23 0 0 CLASS=AA ATTCHORD=(4 4 Br 2 Al) SEQID=3
+M  V30 4 Ala 5.4539 -9.23 0 0 CLASS=AA ATTCHORD=(4 3 Al 5 Br) SEQID=4
+M  V30 5 Gly 6.6114 -9.23 0 0 CLASS=AA ATTCHORD=(2 4 Al) SEQID=5
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 2 1
+M  V30 2 1 3 2
+M  V30 3 1 4 3
+M  V30 4 1 5 4
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 DAT 1 ATOMS=(1 1) FIELDNAME="SMMX:sequence position data" -
+M  V30 FIELDDISP=" 1.5563 -9.2328 DA ALL 1 "
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 BEGIN TEMPLATE
+M  V30 TEMPLATE 1 AA/Ala/A/
+M  V30 BEGIN CTAB
+M  V30 COUNTS 7 6 3 0 1
+M  V30 BEGIN ATOM
+M  V30 1 O 6.6266 -2.0662 0 0
+M  V30 2 H 5.0016 -2.0876 0 0
+M  V30 3 N 5.1358 -2.0784 0 0 CFG=3
+M  V30 4 C 5.7844 -1.5983 0 0 CFG=2
+M  V30 5 C 6.4753 -2.0653 0 0
+M  V30 6 O 6.4753 -2.8977 0 0
+M  V30 7 C 5.7844 -0.7662 0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 3 4
+M  V30 2 1 4 5
+M  V30 3 2 5 6
+M  V30 4 1 4 7 CFG=1
+M  V30 5 1 3 2
+M  V30 6 1 5 1
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 1) XBONDS=(1 6) BRKXYZ=(9 7.02 -2.26 0 7.02 -1.85 0 -
+M  V30 0 0 0) CSTATE=(4 6 -0.82 -0.01 0) LABEL=OH CLASS=LGRP
+M  V30 2 SUP 2 ATOMS=(1 2) XBONDS=(1 5) BRKXYZ=(9 4.58 -1.87 0 4.6 -2.28 0 -
+M  V30 0 0 0) CSTATE=(4 5 0.8 0.02 0) LABEL=H CLASS=LGRP
+M  V30 3 SUP 3 ATOMS=(5 3 4 5 6 7) XBONDS=(2 5 6) BRKXYZ=(9 3.95 -3.33 0 3.95 -
+M  V30 -0.38 0 0 0 0) CSTATE=(4 5 -0.8 -0.02 0) CSTATE=(4 6 0.82 0.01 -
+M  V30 0) LABEL=A CLASS=AA SAP=(3 3 2 Al) SAP=(3 5 1 Br)
+M  V30 END SGROUP
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 4)
+M  V30 END COLLECTION
+M  V30 END CTAB
+M  V30 TEMPLATE 2 AA/Gly/G/
+M  V30 BEGIN CTAB
+M  V30 COUNTS 6 5 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 N 3.676 -12.5274 0 0 CFG=3
+M  V30 2 C 4.2675 -12.095 0 0
+M  V30 3 O 4.8932 -13.2691 0 0
+M  V30 4 C 4.8904 -12.5161 0 0
+M  V30 5 O 5.1042 -12.5167 0 0
+M  V30 6 H 3.4542 -12.5125 0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 1 2 4
+M  V30 3 2 4 3
+M  V30 4 1 4 5
+M  V30 5 1 1 6
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 5) XBONDS=(1 4) CSTATE=(4 4 -0.82 -0.01 0) LABEL=OH -
+M  V30 CLASS=LGRP
+M  V30 2 SUP 2 ATOMS=(4 1 2 3 4) XBONDS=(2 4 5) CSTATE=(4 4 0.82 0.01 0) -
+M  V30 CSTATE=(4 5 -0.83 0.01 0) LABEL=G CLASS=AA SAP=(3 4 5 Br) -
+M  V30 SAP=(3 1 6 Al)
+M  V30 3 SUP 3 ATOMS=(1 6) XBONDS=(1 5) CSTATE=(4 5 0.83 -0.01 0) LABEL=H -
+M  V30 CLASS=LGRP
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 3 AA/meS/meS/ NATREPLACE=AA/S
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 8 3 0 1
+M  V30 BEGIN ATOM
+M  V30 1 C 9.9525 -5.6641 0 0
+M  V30 2 O 9.9451 -6.8641 0 0
+M  V30 3 N 7.3518 -5.6442 0 0 CFG=3
+M  V30 4 C 8.6579 -4.9049 0 0 CFG=1
+M  V30 5 C 8.6671 -3.4041 0 0
+M  V30 6 O 7.6319 -2.7971 0 0
+M  V30 7 C 6.3173 -5.0361 0 0
+M  V30 8 O 10.8217 -5.1697 0 0
+M  V30 9 H 7.3436 -6.6442 0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 2 1
+M  V30 2 1 1 4
+M  V30 3 1 4 3
+M  V30 4 1 4 5 CFG=1
+M  V30 5 1 5 6
+M  V30 6 1 3 7
+M  V30 7 1 1 8
+M  V30 8 1 3 9
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(7 1 2 3 4 5 6 7) XBONDS=(2 7 8) CSTATE=(4 7 2.17 0.48 -
+M  V30 0) CSTATE=(4 8 -1.31 -0.99 0) LABEL=meS CLASS=AA SAP=(3 1 8 Br) -
+M  V30 SAP=(3 3 9 Al) NATREPLACE=AA/S
+M  V30 2 SUP 2 ATOMS=(1 8) XBONDS=(1 7) CSTATE=(4 7 -2.17 -0.48 0) LABEL=OH -
+M  V30 CLASS=LGRP
+M  V30 3 SUP 3 ATOMS=(1 9) XBONDS=(1 8) CSTATE=(4 8 1.31 0.99 0) LABEL=H -
+M  V30 CLASS=LGRP
+M  V30 END SGROUP
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 4)
+M  V30 END COLLECTION
+M  V30 END CTAB
+M  V30 END TEMPLATE
+M  END
diff --git a/Code/GraphMol/FileParsers/test_data/macromols/KellanError.mol b/Code/GraphMol/FileParsers/test_data/macromols/KellanError.mol
new file mode 100644
index 000000000..7e75f4c58
--- /dev/null
+++ b/Code/GraphMol/FileParsers/test_data/macromols/KellanError.mol
@@ -0,0 +1,725 @@
+
+  -INDIGO-01142511432D
+
+  0  0  0  0  0  0  0  0  0  0  0 V3000
+M  V30 BEGIN CTAB
+M  V30 COUNTS 31 30 0 0 0
+M  V30 BEGIN ATOM
+M  V30 1 am6 8.22427 -12.7812 0.0 0 CLASS=SUGAR SEQID=1 ATTCHORD=(4 2 Br 31 A-
+M  V30 l)
+M  V30 2 P 9.72427 -12.7812 0.0 0 CLASS=PHOSPHATE SEQID=1 ATTCHORD=(4 1 Al 3 -
+M  V30 Br)
+M  V30 3 R 11.2243 -12.7812 0.0 0 CLASS=SUGAR SEQID=2 ATTCHORD=(6 2 Al 4 Cx 5-
+M  V30  Br)
+M  V30 4 C 11.2243 -14.2812 0.0 0 CLASS=BASE SEQID=2 ATTCHORD=(2 3 Al)
+M  V30 5 P 12.7243 -12.7812 0.0 0 CLASS=PHOSPHATE SEQID=2 ATTCHORD=(4 3 Al 6 -
+M  V30 Br)
+M  V30 6 R 14.2243 -12.7812 0.0 0 CLASS=SUGAR SEQID=3 ATTCHORD=(6 5 Al 7 Cx 8-
+M  V30  Br)
+M  V30 7 U 14.2243 -14.2812 0.0 0 CLASS=BASE SEQID=3 ATTCHORD=(2 6 Al)
+M  V30 8 P 15.7243 -12.7812 0.0 0 CLASS=PHOSPHATE SEQID=3 ATTCHORD=(4 6 Al 9 -
+M  V30 Br)
+M  V30 9 R 17.2243 -12.7812 0.0 0 CLASS=SUGAR SEQID=4 ATTCHORD=(6 8 Al 10 Cx -
+M  V30 11 Br)
+M  V30 10 U 17.2243 -14.2812 0.0 0 CLASS=BASE SEQID=4 ATTCHORD=(2 9 Al)
+M  V30 11 P 18.7243 -12.7812 0.0 0 CLASS=PHOSPHATE SEQID=4 ATTCHORD=(4 9 Al 1-
+M  V30 2 Br)
+M  V30 12 R 20.2243 -12.7812 0.0 0 CLASS=SUGAR SEQID=5 ATTCHORD=(6 11 Al 13 C-
+M  V30 x 14 Br)
+M  V30 13 G 20.2243 -14.2812 0.0 0 CLASS=BASE SEQID=5 ATTCHORD=(2 12 Al)
+M  V30 14 P 21.7243 -12.7812 0.0 0 CLASS=PHOSPHATE SEQID=5 ATTCHORD=(4 12 Al -
+M  V30 15 Br)
+M  V30 15 R 23.2243 -12.7812 0.0 0 CLASS=SUGAR SEQID=6 ATTCHORD=(6 14 Al 16 C-
+M  V30 x 17 Br)
+M  V30 16 A 23.2243 -14.2812 0.0 0 CLASS=BASE SEQID=6 ATTCHORD=(2 15 Al)
+M  V30 17 P 24.7243 -12.7812 0.0 0 CLASS=PHOSPHATE SEQID=6 ATTCHORD=(4 15 Al -
+M  V30 18 Br)
+M  V30 18 R 26.2243 -12.7812 0.0 0 CLASS=SUGAR SEQID=7 ATTCHORD=(6 17 Al 19 C-
+M  V30 x 20 Br)
+M  V30 19 G 26.2243 -14.2812 0.0 0 CLASS=BASE SEQID=7 ATTCHORD=(2 18 Al)
+M  V30 20 P 27.7243 -12.7812 0.0 0 CLASS=PHOSPHATE SEQID=7 ATTCHORD=(4 18 Al -
+M  V30 21 Br)
+M  V30 21 R 29.2243 -12.7812 0.0 0 CLASS=SUGAR SEQID=8 ATTCHORD=(4 20 Al 22 C-
+M  V30 x)
+M  V30 22 G 29.2243 -14.2812 0.0 0 CLASS=BASE SEQID=8 ATTCHORD=(2 21 Al)
+M  V30 23 A 8.22427 -15.7812 0.0 0 CLASS=AA SEQID=1 ATTCHORD=(2 24 Br)
+M  V30 24 C 9.72427 -15.7812 0.0 0 CLASS=AA SEQID=2 ATTCHORD=(6 23 Al 25 Br 3-
+M  V30 1 Cx)
+M  V30 25 G 11.2243 -15.7812 0.0 0 CLASS=AA SEQID=3 ATTCHORD=(4 24 Al 26 Br)
+M  V30 26 K 12.7243 -15.7812 0.0 0 CLASS=AA SEQID=4 ATTCHORD=(4 25 Al 27 Br)
+M  V30 27 E 14.2243 -15.7812 0.0 0 CLASS=AA SEQID=5 ATTCHORD=(4 26 Al 28 Br)
+M  V30 28 D 15.7243 -15.7812 0.0 0 CLASS=AA SEQID=6 ATTCHORD=(4 27 Al 29 Br)
+M  V30 29 K 17.2243 -15.7812 0.0 0 CLASS=AA SEQID=7 ATTCHORD=(4 28 Al 30 Br)
+M  V30 30 R 18.7243 -15.7812 0.0 0 CLASS=AA SEQID=8 ATTCHORD=(2 29 Al)
+M  V30 31 SMCC 8.22427 -17.2812 0.0 0 CLASS=LINKER ATTCHORD=(4 24 Br 1 Al)
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 1 2 3
+M  V30 3 1 3 4
+M  V30 4 1 3 5
+M  V30 5 1 5 6
+M  V30 6 1 6 7
+M  V30 7 1 6 8
+M  V30 8 1 8 9
+M  V30 9 1 9 10
+M  V30 10 1 9 11
+M  V30 11 1 11 12
+M  V30 12 1 12 13
+M  V30 13 1 12 14
+M  V30 14 1 14 15
+M  V30 15 1 15 16
+M  V30 16 1 15 17
+M  V30 17 1 17 18
+M  V30 18 1 18 19
+M  V30 19 1 18 20
+M  V30 20 1 20 21
+M  V30 21 1 21 22
+M  V30 22 1 23 24
+M  V30 23 1 24 25
+M  V30 24 1 25 26
+M  V30 25 1 26 27
+M  V30 26 1 27 28
+M  V30 27 1 28 29
+M  V30 28 1 29 30
+M  V30 29 1 24 31
+M  V30 30 1 1 31
+M  V30 END BOND
+M  V30 END CTAB
+M  V30 BEGIN TEMPLATE
+M  V30 TEMPLATE 1 SUGAR/am6/am6 NATREPLACE=SUGAR/R
+M  V30 BEGIN CTAB
+M  V30 COUNTS 10 9 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 N -4.5654 0.0 0.0 0
+M  V30 2 C -3.2082 -0.6407 0.0 0
+M  V30 3 H -5.552 -0.6831 0.0 0
+M  V30 4 C -1.9742 0.2136 0.0 0
+M  V30 5 C -0.617 -0.4271 0.0 0
+M  V30 6 C 0.617 0.4271 0.0 0
+M  V30 7 C 1.9742 -0.2136 0.0 0
+M  V30 8 C 3.2082 0.6407 0.0 0
+M  V30 9 O 4.5654 0.0 0.0 0
+M  V30 10 H 5.552 0.683 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 3
+M  V30 2 1 2 4
+M  V30 3 1 4 5
+M  V30 4 1 5 6
+M  V30 5 1 6 7
+M  V30 6 1 7 8
+M  V30 7 1 8 9
+M  V30 8 1 9 10
+M  V30 9 1 2 1
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 3) XBONDS=(1 1) BRKXYZ=(9 0.493300 0.341550 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=L-
+M  V30 GRP
+M  V30 2 SUP 2 ATOMS=(1 10) XBONDS=(1 8) BRKXYZ=(9 -0.493300 -0.341500 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(8 1 2 4 5 6 7 8 9) XBONDS=(2 1 8) BRKXYZ=(9 -0.493300 --
+M  V30 0.341550 0.000000 0.493300 0.341500 0.000000 0.000000 0.000000 0.00000-
+M  V30 0) LABEL=am6 CLASS=SUGAR SAP=(3 1 3 Al) SAP=(3 9 10 Br) NATREPLACE=SUG-
+M  V30 AR/R
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 2 PHOSPHATE/P/P NATREPLACE=PHOSPHATE/P
+M  V30 BEGIN CTAB
+M  V30 COUNTS 5 4 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 P -0.2399 0.0 0.0 0
+M  V30 2 O -1.4399 0.0 0.0 0
+M  V30 3 O 0.3598 -1.0394 0.0 0
+M  V30 4 O 0.9601 0.0 0.0 0
+M  V30 5 O 0.3598 1.0394 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 2 1 3
+M  V30 3 1 1 4
+M  V30 4 1 1 5
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 2) XBONDS=(1 1) BRKXYZ=(9 0.600000 0.000000 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 4) XBONDS=(1 3) BRKXYZ=(9 -0.600000 0.000000 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLASS-
+M  V30 =LGRP
+M  V30 3 SUP 3 ATOMS=(3 1 3 5) XBONDS=(2 1 3) BRKXYZ=(9 -0.600000 0.000000 0.-
+M  V30 000000 0.600000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=P -
+M  V30 CLASS=PHOSPHATE SAP=(3 1 2 Al) SAP=(3 1 4 Br) NATREPLACE=PHOSPHATE/P
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 3 SUGAR/Rib/R NATREPLACE=SUGAR/R
+M  V30 BEGIN CTAB
+M  V30 COUNTS 12 12 4 0 0
+M  V30 BEGIN ATOM
+M  V30 1 O -1.1017 -1.0663 0.0 0
+M  V30 2 C -0.5897 0.3436 0.0 0 CFG=1
+M  V30 3 C 0.0809 -1.9889 0.0 0 CFG=2
+M  V30 4 C 0.9095 0.2924 0.0 0 CFG=2
+M  V30 5 C 1.3239 -1.1493 0.0 0 CFG=1
+M  V30 6 O 1.8285 1.4755 0.0 0
+M  V30 7 O 2.4518 -1.5589 0.0 0
+M  V30 8 C -1.431 1.5834 0.0 0
+M  V30 9 O 0.0399 -3.1881 0.0 0
+M  V30 10 O -2.9279 1.4755 0.0 0
+M  V30 11 H -3.6017 2.4684 0.0 0
+M  V30 12 H 3.0174 1.3125 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 1 1 3
+M  V30 3 1 2 4
+M  V30 4 1 2 8 CFG=3
+M  V30 5 1 3 5
+M  V30 6 1 3 9 CFG=3
+M  V30 7 1 4 5
+M  V30 8 1 4 6 CFG=1
+M  V30 9 1 5 7 CFG=1
+M  V30 10 1 6 12
+M  V30 11 1 8 10
+M  V30 12 1 10 11
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(4 2 3 4 5)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 11) XBONDS=(1 12) BRKXYZ=(9 0.336900 -0.496450 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
+M  V30 S=LGRP
+M  V30 2 SUP 2 ATOMS=(1 12) XBONDS=(1 10) BRKXYZ=(9 -0.594450 0.081500 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(1 9) XBONDS=(1 6) BRKXYZ=(9 0.020500 0.599600 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLASS=-
+M  V30 LGRP
+M  V30 4 SUP 4 ATOMS=(9 1 2 3 4 5 6 7 8 10) XBONDS=(3 6 10 12) BRKXYZ=(9 -0.0-
+M  V30 20500 -0.599600 0.000000 0.594450 -0.081500 0.000000 0.000000 0.000000-
+M  V30  0.000000) BRKXYZ=(9 -0.336900 0.496450 0.000000 0.000000 0.000000 0.0-
+M  V30 00000 0.000000 0.000000 0.000000) LABEL=R CLASS=SUGAR SAP=(3 10 11 Al)-
+M  V30  SAP=(3 6 12 Br) SAP=(3 3 9 Cx) NATREPLACE=SUGAR/R
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 4 BASE/Cyt/C NATREPLACE=BASE/C
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 9 2 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.8617 1.3499 0.0 0
+M  V30 2 C 1.1117 2.6489 0.0 0
+M  V30 3 C -0.3882 2.649 0.0 0
+M  V30 4 N -1.1382 1.35 0.0 0
+M  V30 5 C -0.3883 0.0509 0.0 0
+M  V30 6 N 1.1117 0.0509 0.0 0
+M  V30 7 N 3.0618 1.3499 0.0 0
+M  V30 8 O -0.9884 -0.9883 0.0 0
+M  V30 9 H -2.3383 1.35 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 2 1 6
+M  V30 3 1 1 7
+M  V30 4 2 2 3
+M  V30 5 1 3 4
+M  V30 6 1 4 5
+M  V30 7 1 4 9
+M  V30 8 1 5 6
+M  V30 9 2 5 8
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 9) XBONDS=(1 7) BRKXYZ=(9 0.600050 0.000000 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=L-
+M  V30 GRP
+M  V30 2 SUP 2 ATOMS=(8 1 2 3 4 5 6 7 8) XBONDS=(1 7) BRKXYZ=(9 -0.600050 0.0-
+M  V30 00000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) -
+M  V30 LABEL=C CLASS=BASE SAP=(3 4 9 Al) NATREPLACE=BASE/C
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 5 BASE/Ura/U NATREPLACE=BASE/U
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 9 2 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.8617 1.3499 0.0 0
+M  V30 2 C 1.1117 0.0509 0.0 0
+M  V30 3 C -0.3883 0.0509 0.0 0
+M  V30 4 N -1.1382 1.35 0.0 0
+M  V30 5 C -0.3882 2.649 0.0 0
+M  V30 6 N 1.1117 2.6489 0.0 0
+M  V30 7 O 3.0618 1.3499 0.0 0
+M  V30 8 O -0.9882 3.6882 0.0 0
+M  V30 9 H -2.3383 1.35 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 1 7
+M  V30 2 1 1 6
+M  V30 3 1 1 2
+M  V30 4 2 2 3
+M  V30 5 1 3 4
+M  V30 6 1 4 5
+M  V30 7 1 4 9
+M  V30 8 2 5 8
+M  V30 9 1 5 6
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 9) XBONDS=(1 7) BRKXYZ=(9 0.600050 0.000000 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=L-
+M  V30 GRP
+M  V30 2 SUP 2 ATOMS=(8 1 2 3 4 5 6 7 8) XBONDS=(1 7) BRKXYZ=(9 -0.600050 0.0-
+M  V30 00000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) -
+M  V30 LABEL=U CLASS=BASE SAP=(3 4 9 Al) NATREPLACE=BASE/U
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 6 BASE/Gua/G NATREPLACE=BASE/G
+M  V30 BEGIN CTAB
+M  V30 COUNTS 12 13 2 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.0354 0.2498 0.0 0
+M  V30 2 C -0.0792 -0.754 0.0 0
+M  V30 3 C -1.5057 -0.2906 0.0 0
+M  V30 4 N -1.8177 1.1766 0.0 0
+M  V30 5 C -0.7031 2.1804 0.0 0
+M  V30 6 N 0.7235 1.717 0.0 0
+M  V30 7 N -2.3871 -1.5034 0.0 0
+M  V30 8 C -1.5053 -2.7168 0.0 0
+M  V30 9 N -0.0787 -2.2532 0.0 0
+M  V30 10 O 2.1768 -0.1209 0.0 0
+M  V30 11 N -0.9527 3.3542 0.0 0
+M  V30 12 H -3.5871 -1.5034 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 1 10
+M  V30 2 1 1 6
+M  V30 3 1 1 2
+M  V30 4 1 9 2
+M  V30 5 2 2 3
+M  V30 6 1 7 3
+M  V30 7 1 3 4
+M  V30 8 2 4 5
+M  V30 9 1 5 6
+M  V30 10 1 5 11
+M  V30 11 1 7 8
+M  V30 12 1 7 12
+M  V30 13 2 8 9
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 12) XBONDS=(1 12) BRKXYZ=(9 0.600000 0.000000 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS-
+M  V30 =LGRP
+M  V30 2 SUP 2 ATOMS=(11 1 2 3 4 5 6 7 8 9 10 11) XBONDS=(1 12) BRKXYZ=(9 -0.-
+M  V30 600000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -
+M  V30 0.000000) LABEL=G CLASS=BASE SAP=(3 7 12 Al) NATREPLACE=BASE/G
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 7 BASE/Ade/A NATREPLACE=BASE/A
+M  V30 BEGIN CTAB
+M  V30 COUNTS 11 12 2 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.0354 0.2498 0.0 0
+M  V30 2 C -0.0792 -0.754 0.0 0
+M  V30 3 C -1.5057 -0.2906 0.0 0
+M  V30 4 N -1.8177 1.1766 0.0 0
+M  V30 5 C -0.7031 2.1804 0.0 0
+M  V30 6 N 0.7235 1.717 0.0 0
+M  V30 7 N -2.3871 -1.5034 0.0 0
+M  V30 8 C -1.5053 -2.7168 0.0 0
+M  V30 9 N -0.0787 -2.2532 0.0 0
+M  V30 10 N 2.1768 -0.1209 0.0 0
+M  V30 11 H -3.5871 -1.5034 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 10
+M  V30 2 2 1 6
+M  V30 3 1 1 2
+M  V30 4 1 9 2
+M  V30 5 2 2 3
+M  V30 6 1 7 3
+M  V30 7 1 3 4
+M  V30 8 2 4 5
+M  V30 9 1 5 6
+M  V30 10 1 7 8
+M  V30 11 1 7 11
+M  V30 12 2 8 9
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 11) XBONDS=(1 11) BRKXYZ=(9 0.600000 0.000000 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS-
+M  V30 =LGRP
+M  V30 2 SUP 2 ATOMS=(10 1 2 3 4 5 6 7 8 9 10) XBONDS=(1 11) BRKXYZ=(9 -0.600-
+M  V30 000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.0-
+M  V30 00000) LABEL=A CLASS=BASE SAP=(3 7 11 Al) NATREPLACE=BASE/A
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 8 AA/Ala/A/ NATREPLACE=AA/A
+M  V30 BEGIN CTAB
+M  V30 COUNTS 7 6 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 N -1.2549 -0.392 0.0 0
+M  V30 2 C -0.272 0.2633 0.0 0 CFG=1
+M  V30 3 C -0.3103 1.7393 0.0 0
+M  V30 4 C 1.0523 -0.392 0.0 0
+M  V30 5 O 1.0829 -1.5722 0.0 0
+M  V30 6 O 2.0353 0.2633 0.0 0
+M  V30 7 H -2.3334 0.0905 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 2 1
+M  V30 2 1 2 3 CFG=1
+M  V30 3 1 2 4
+M  V30 4 2 4 5
+M  V30 5 1 4 6
+M  V30 6 1 1 7
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 2)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 7) XBONDS=(1 6) BRKXYZ=(9 0.539250 -0.241250 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 6) XBONDS=(1 5) BRKXYZ=(9 -0.491500 -0.327650 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(5 1 2 3 4 5) XBONDS=(2 6 5) BRKXYZ=(9 -0.539250 0.24125-
+M  V30 0 0.000000 0.491500 0.327650 0.000000 0.000000 0.000000 0.000000) LABE-
+M  V30 L=A CLASS=AA SAP=(3 1 7 Al) SAP=(3 4 6 Br) NATREPLACE=AA/A
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 9 AA/Cys/C/ NATREPLACE=AA/C
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 8 4 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.4457 -1.1333 0.0 0
+M  V30 2 C 0.1453 -0.384 0.0 0 CFG=2
+M  V30 3 C 0.143 1.1168 0.0 0
+M  V30 4 S -1.1573 1.8661 0.0 0
+M  V30 5 N -1.1551 -1.1333 0.0 0
+M  V30 6 O 1.4475 -2.3333 0.0 0
+M  V30 7 O 2.4842 -0.532 0.0 0
+M  V30 8 H -2.1942 -0.5331 0.0 0
+M  V30 9 H -1.1591 3.0661 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 6 1
+M  V30 2 1 1 2
+M  V30 3 1 1 7
+M  V30 4 1 2 5
+M  V30 5 1 2 3 CFG=1
+M  V30 6 1 3 4
+M  V30 7 1 5 8
+M  V30 8 1 4 9
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 2)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 8) XBONDS=(1 7) BRKXYZ=(9 0.519550 -0.300100 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 7) XBONDS=(1 3) BRKXYZ=(9 -0.519250 -0.300650 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(1 9) XBONDS=(1 8) BRKXYZ=(9 0.000900 -0.600000 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 4 SUP 4 ATOMS=(6 1 2 3 4 5 6) XBONDS=(3 3 8 7) BRKXYZ=(9 0.519250 0.30-
+M  V30 0650 0.000000 -0.000900 0.600000 0.000000 0.000000 0.000000 0.000000) -
+M  V30 BRKXYZ=(9 -0.519550 0.300100 0.000000 0.000000 0.000000 0.000000 0.000-
+M  V30 000 0.000000 0.000000) LABEL=C CLASS=AA SAP=(3 5 8 Al) SAP=(3 1 7 Br) -
+M  V30 SAP=(3 4 9 Cx) NATREPLACE=AA/C
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 10 AA/Gly/G/ NATREPLACE=AA/G
+M  V30 BEGIN CTAB
+M  V30 COUNTS 6 5 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C -0.3363 0.5346 0.0 0
+M  V30 2 C 0.9929 -0.1107 0.0 0
+M  V30 3 O 1.0782 -1.289 0.0 0
+M  V30 4 O 1.9709 0.552 0.0 0
+M  V30 5 N -1.326 -0.1107 0.0 0
+M  V30 6 H -2.3797 0.4238 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 2 2 3
+M  V30 3 1 2 4
+M  V30 4 1 1 5
+M  V30 5 1 5 6
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 6) XBONDS=(1 5) BRKXYZ=(9 0.526850 -0.267250 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 4) XBONDS=(1 3) BRKXYZ=(9 -0.489000 -0.331350 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(4 1 2 3 5) XBONDS=(2 3 5) BRKXYZ=(9 0.489000 0.331350 0-
+M  V30 .000000 -0.526850 0.267250 0.000000 0.000000 0.000000 0.000000) LABEL=-
+M  V30 G CLASS=AA SAP=(3 5 6 Al) SAP=(3 2 4 Br) NATREPLACE=AA/G
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 11 AA/Lys/K/ NATREPLACE=AA/K
+M  V30 BEGIN CTAB
+M  V30 COUNTS 12 11 4 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 2.1478 -2.4874 0.0 0
+M  V30 2 C 0.8474 -1.7382 0.0 0 CFG=2
+M  V30 3 C 0.8451 -0.2373 0.0 0
+M  V30 4 C -0.4553 0.5119 0.0 0
+M  V30 5 C -0.4575 2.0128 0.0 0
+M  V30 6 C -1.7579 2.7619 0.0 0
+M  V30 7 N -1.7602 4.2628 0.0 0
+M  V30 8 N -0.453 -2.4874 0.0 0
+M  V30 9 O 2.1495 -3.6875 0.0 0
+M  V30 10 O 3.1863 -1.8862 0.0 0
+M  V30 11 H -1.4921 -1.8873 0.0 0
+M  V30 12 H -2.8 4.8619 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 9 1
+M  V30 2 1 1 2
+M  V30 3 1 1 10
+M  V30 4 1 2 8
+M  V30 5 1 2 3 CFG=1
+M  V30 6 1 3 4
+M  V30 7 1 4 5
+M  V30 8 1 5 6
+M  V30 9 1 6 7
+M  V30 10 1 8 11
+M  V30 11 1 7 12
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 2)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 11) XBONDS=(1 10) BRKXYZ=(9 0.519550 -0.300050 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
+M  V30 S=LGRP
+M  V30 2 SUP 2 ATOMS=(1 10) XBONDS=(1 3) BRKXYZ=(9 -0.519250 -0.300600 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLA-
+M  V30 SS=LGRP
+M  V30 3 SUP 3 ATOMS=(1 12) XBONDS=(1 11) BRKXYZ=(9 0.519900 -0.299550 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
+M  V30 S=LGRP
+M  V30 4 SUP 4 ATOMS=(9 1 2 3 4 5 6 7 8 9) XBONDS=(3 3 11 10) BRKXYZ=(9 0.519-
+M  V30 250 0.300600 0.000000 -0.519900 0.299550 0.000000 0.000000 0.000000 0.-
+M  V30 000000) BRKXYZ=(9 -0.519550 0.300050 0.000000 0.000000 0.000000 0.0000-
+M  V30 00 0.000000 0.000000 0.000000) LABEL=K CLASS=AA SAP=(3 8 11 Al) SAP=(3-
+M  V30  1 10 Br) SAP=(3 7 12 Cx) NATREPLACE=AA/K
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 12 AA/Glu/E/ NATREPLACE=AA/E
+M  V30 BEGIN CTAB
+M  V30 COUNTS 12 11 4 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 0.3442 -1.4777 0.0 0 CFG=1
+M  V30 2 C 1.6244 -2.2154 0.0 0
+M  V30 3 O 1.6261 -3.3968 0.0 0
+M  V30 4 O 2.6469 -1.6234 0.0 0
+M  V30 5 N -0.9361 -2.2154 0.0 0
+M  V30 6 H -1.9591 -1.6245 0.0 0
+M  V30 7 C 0.3419 -0.0001 0.0 0
+M  V30 8 C -0.9383 0.7375 0.0 0
+M  V30 9 C -0.9406 2.2151 0.0 0
+M  V30 10 O -1.9642 2.8049 0.0 0
+M  V30 11 O 0.0819 2.8071 0.0 0
+M  V30 12 H 0.0729 3.9885 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 2 1
+M  V30 2 2 2 3
+M  V30 3 1 2 4
+M  V30 4 1 1 5
+M  V30 5 1 5 6
+M  V30 6 1 1 7 CFG=1
+M  V30 7 1 7 8
+M  V30 8 1 8 9
+M  V30 9 2 9 10
+M  V30 10 1 9 11
+M  V30 11 1 11 12
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 1)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 6) XBONDS=(1 5) BRKXYZ=(9 0.511500 -0.295450 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 4) XBONDS=(1 3) BRKXYZ=(9 -0.511250 -0.296000 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(1 12) XBONDS=(1 11) BRKXYZ=(9 0.004500 -0.590700 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
+M  V30 S=LGRP
+M  V30 4 SUP 4 ATOMS=(9 1 2 3 5 7 8 9 10 11) XBONDS=(3 3 5 11) BRKXYZ=(9 0.51-
+M  V30 1250 0.296000 0.000000 -0.511500 0.295450 0.000000 0.000000 0.000000 0-
+M  V30 .000000) BRKXYZ=(9 -0.004500 0.590700 0.000000 0.000000 0.000000 0.000-
+M  V30 000 0.000000 0.000000 0.000000) LABEL=E CLASS=AA SAP=(3 5 6 Al) SAP=(3-
+M  V30  2 4 Br) SAP=(3 11 12 Cx) NATREPLACE=AA/E
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 13 AA/Asp/D/ NATREPLACE=AA/D
+M  V30 BEGIN CTAB
+M  V30 COUNTS 11 10 4 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.631 -1.5578 0.0 0
+M  V30 2 O 1.6327 -2.7392 0.0 0
+M  V30 3 C 0.3507 -0.8201 0.0 0 CFG=1
+M  V30 4 N -0.9295 -1.5578 0.0 0
+M  V30 5 H -1.9525 -0.9669 0.0 0
+M  V30 6 C 0.3485 0.6575 0.0 0
+M  V30 7 C -0.9317 1.3952 0.0 0
+M  V30 8 O -1.9542 0.8032 0.0 0
+M  V30 9 O -0.9335 2.5766 0.0 0
+M  V30 10 O 2.6534 -0.9658 0.0 0
+M  V30 11 H 0.0851 3.1751 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 2 1
+M  V30 2 1 1 3
+M  V30 3 1 3 4
+M  V30 4 1 4 5
+M  V30 5 1 3 6 CFG=1
+M  V30 6 1 6 7
+M  V30 7 2 7 8
+M  V30 8 1 7 9
+M  V30 9 1 1 10
+M  V30 10 1 9 11
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 3)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 5) XBONDS=(1 4) BRKXYZ=(9 0.511500 -0.295450 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 10) XBONDS=(1 9) BRKXYZ=(9 -0.511200 -0.296000 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLA-
+M  V30 SS=LGRP
+M  V30 3 SUP 3 ATOMS=(1 11) XBONDS=(1 10) BRKXYZ=(9 -0.509300 -0.299250 0.000-
+M  V30 000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLA-
+M  V30 SS=LGRP
+M  V30 4 SUP 4 ATOMS=(8 1 2 3 4 6 7 8 9) XBONDS=(3 9 4 10) BRKXYZ=(9 0.511200-
+M  V30  0.296000 0.000000 -0.511500 0.295450 0.000000 0.000000 0.000000 0.000-
+M  V30 000) BRKXYZ=(9 0.509300 0.299250 0.000000 0.000000 0.000000 0.000000 0-
+M  V30 .000000 0.000000 0.000000) LABEL=D CLASS=AA SAP=(3 4 5 Al) SAP=(3 1 10-
+M  V30  Br) SAP=(3 9 11 Cx) NATREPLACE=AA/D
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 14 AA/Arg/R/ NATREPLACE=AA/R
+M  V30 BEGIN CTAB
+M  V30 COUNTS 14 13 4 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.7718 -2.5891 0.0 0
+M  V30 2 O 1.7732 -3.5337 0.0 0
+M  V30 3 C 0.7483 -1.9994 0.0 0 CFG=1
+M  V30 4 N -0.2752 -2.5891 0.0 0
+M  V30 5 H -1.0932 -2.1168 0.0 0
+M  V30 6 C 0.7464 -0.8182 0.0 0
+M  V30 7 C -0.2771 -0.2284 0.0 0
+M  V30 8 C -0.2789 0.9529 0.0 0
+M  V30 9 N -1.3024 1.5426 0.0 0
+M  V30 10 C -1.3042 2.7238 0.0 0
+M  V30 11 N -0.4868 3.1971 0.0 0
+M  V30 12 N -2.1227 3.1955 0.0 0
+M  V30 13 O 2.5892 -2.1159 0.0 0
+M  V30 14 H -0.4883 4.3786 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 2 1
+M  V30 2 1 1 3
+M  V30 3 1 3 4
+M  V30 4 1 4 5
+M  V30 5 1 3 6 CFG=1
+M  V30 6 1 6 7
+M  V30 7 1 7 8
+M  V30 8 1 8 9
+M  V30 9 1 9 10
+M  V30 10 1 10 11
+M  V30 11 2 10 12
+M  V30 12 1 1 13
+M  V30 13 1 11 14
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 3)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 5) XBONDS=(1 4) BRKXYZ=(9 0.409000 -0.236150 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 13) XBONDS=(1 12) BRKXYZ=(9 -0.408700 -0.236600 0.000-
+M  V30 000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CL-
+M  V30 ASS=LGRP
+M  V30 3 SUP 3 ATOMS=(1 14) XBONDS=(1 13) BRKXYZ=(9 0.000750 -0.590750 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
+M  V30 S=LGRP
+M  V30 4 SUP 4 ATOMS=(11 1 2 3 4 6 7 8 9 10 11 12) XBONDS=(3 12 4 13) BRKXYZ=-
+M  V30 (9 0.408700 0.236600 0.000000 -0.409000 0.236150 0.000000 0.000000 0.0-
+M  V30 00000 0.000000) BRKXYZ=(9 -0.000750 0.590750 0.000000 0.000000 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000) LABEL=R CLASS=AA SAP=(3 4 5 Al)-
+M  V30  SAP=(3 1 13 Br) SAP=(3 11 14 Cx) NATREPLACE=AA/R
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 15 LINKER/SMCC/SMCC
+M  V30 BEGIN CTAB
+M  V30 COUNTS 18 19 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 0.4966 -1.0108 0.0 0
+M  V30 2 C -0.8438 -1.686 0.0 0
+M  V30 3 N -2.0992 -0.8637 0.0 0
+M  V30 4 C -4.4215 -0.2334 0.0 0
+M  V30 5 C -3.4845 -1.4048 0.0 0
+M  V30 6 C -2.1504 0.6228 0.0 0
+M  V30 7 C -3.597 1.0196 0.0 0
+M  V30 8 O -1.209 1.3667 0.0 0
+M  V30 9 O -3.7953 -2.5638 0.0 0
+M  V30 10 H -4.0204 2.1426 0.0 0
+M  V30 11 C 1.9171 1.1645 0.0 0
+M  V30 12 C 3.173 0.3443 0.0 0
+M  V30 13 C 3.0908 -1.1534 0.0 0
+M  V30 14 C 1.7526 -1.831 0.0 0
+M  V30 15 C 0.5789 0.487 0.0 0
+M  V30 16 C 4.5135 1.0196 0.0 0
+M  V30 17 O 5.5173 0.3621 0.0 0
+M  V30 18 O 4.5813 2.2177 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 1 2 3
+M  V30 3 1 5 3
+M  V30 4 1 3 6
+M  V30 5 1 4 5
+M  V30 6 1 6 7
+M  V30 7 1 4 7
+M  V30 8 2 6 8
+M  V30 9 2 5 9
+M  V30 10 1 7 10
+M  V30 11 1 14 1
+M  V30 12 1 1 15
+M  V30 13 1 11 12
+M  V30 14 1 12 13
+M  V30 15 1 13 14
+M  V30 16 1 11 15
+M  V30 17 1 12 16
+M  V30 18 2 16 17
+M  V30 19 1 16 18
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 10) XBONDS=(1 10) BRKXYZ=(9 0.211700 -0.561500 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
+M  V30 S=LGRP
+M  V30 2 SUP 2 ATOMS=(1 18) XBONDS=(1 19) BRKXYZ=(9 -0.033900 -0.599050 0.000-
+M  V30 000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CL-
+M  V30 ASS=LGRP
+M  V30 3 SUP 3 ATOMS=(16 1 2 3 4 5 6 7 8 9 11 12 13 14 15 16 17) XBONDS=(2 10-
+M  V30  19) BRKXYZ=(9 -0.211700 0.561500 0.000000 0.033900 0.599050 0.000000 -
+M  V30 0.000000 0.000000 0.000000) LABEL=SMCC CLASS=LINKER SAP=(3 7 10 Al) SA-
+M  V30 P=(3 16 18 Br)
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 END TEMPLATE
+M  END
diff --git a/Code/GraphMol/FileParsers/test_data/macromols/KellanRNA.mol b/Code/GraphMol/FileParsers/test_data/macromols/KellanRNA.mol
new file mode 100644
index 000000000..e5b4f70fd
--- /dev/null
+++ b/Code/GraphMol/FileParsers/test_data/macromols/KellanRNA.mol
@@ -0,0 +1,353 @@
+
+  -INDIGO-01302515192D
+
+  0  0  0  0  0  0  0  0  0  0  0 V3000
+M  V30 BEGIN CTAB
+M  V30 COUNTS 40 45 0 0 0
+M  V30 BEGIN ATOM
+M  V30 1 R 14.5586 -7.61172 0.0 0 CLASS=SUGAR SEQID=1 ATTCHORD=(4 2 Cx 5 Br)
+M  V30 2 T 14.5586 -9.11172 0.0 0 CLASS=BASE SEQID=1 ATTCHORD=(4 1 Al 21 Ch)
+M  V30 3 R 17.5586 -7.61172 0.0 0 CLASS=SUGAR SEQID=2 ATTCHORD=(6 4 Cx 5 Al 8-
+M  V30  Br)
+M  V30 4 C 17.5586 -9.11172 0.0 0 CLASS=BASE SEQID=2 ATTCHORD=(4 3 Al 24 Ch)
+M  V30 5 P 16.0586 -7.61172 0.0 0 CLASS=PHOSPHATE SEQID=1 ATTCHORD=(4 1 Al 3 -
+M  V30 Br)
+M  V30 6 R 20.5586 -7.61172 0.0 0 CLASS=SUGAR SEQID=3 ATTCHORD=(6 7 Cx 8 Al 1-
+M  V30 1 Br)
+M  V30 7 G 20.5586 -9.11172 0.0 0 CLASS=BASE SEQID=3 ATTCHORD=(4 6 Al 27 Ch)
+M  V30 8 P 19.0586 -7.61172 0.0 0 CLASS=PHOSPHATE SEQID=2 ATTCHORD=(4 3 Al 6 -
+M  V30 Br)
+M  V30 9 R 23.5586 -7.61172 0.0 0 CLASS=SUGAR SEQID=4 ATTCHORD=(6 10 Cx 11 Al-
+M  V30  14 Br)
+M  V30 10 C 23.5586 -9.11172 0.0 0 CLASS=BASE SEQID=4 ATTCHORD=(4 9 Al 30 Ch)
+M  V30 11 P 22.0586 -7.61172 0.0 0 CLASS=PHOSPHATE SEQID=3 ATTCHORD=(4 6 Al 9-
+M  V30  Br)
+M  V30 12 R 26.5586 -7.61172 0.0 0 CLASS=SUGAR SEQID=5 ATTCHORD=(6 13 Cx 14 A-
+M  V30 l 17 Br)
+M  V30 13 C 26.5586 -9.11172 0.0 0 CLASS=BASE SEQID=5 ATTCHORD=(4 12 Al 33 Ch)
+M  V30 14 P 25.0586 -7.61172 0.0 0 CLASS=PHOSPHATE SEQID=4 ATTCHORD=(4 9 Al 1-
+M  V30 2 Br)
+M  V30 15 R 29.5586 -7.61172 0.0 0 CLASS=SUGAR SEQID=6 ATTCHORD=(6 16 Cx 17 A-
+M  V30 l 20 Br)
+M  V30 16 C 29.5586 -9.11172 0.0 0 CLASS=BASE SEQID=6 ATTCHORD=(4 15 Al 36 Ch)
+M  V30 17 P 28.0586 -7.61172 0.0 0 CLASS=PHOSPHATE SEQID=5 ATTCHORD=(4 12 Al -
+M  V30 15 Br)
+M  V30 18 R 32.5586 -7.61172 0.0 0 CLASS=SUGAR SEQID=7 ATTCHORD=(4 19 Cx 20 A-
+M  V30 l)
+M  V30 19 T 32.5586 -9.11172 0.0 0 CLASS=BASE SEQID=7 ATTCHORD=(4 18 Al 40 Ch)
+M  V30 20 P 31.0586 -7.61172 0.0 0 CLASS=PHOSPHATE SEQID=6 ATTCHORD=(4 15 Al -
+M  V30 18 Br)
+M  V30 21 A 14.5586 -10.6117 0.0 0 CLASS=BASE SEQID=1 ATTCHORD=(4 22 Al 2 Ch)
+M  V30 22 R 14.5586 -12.1117 0.0 0 CLASS=SUGAR SEQID=1 ATTCHORD=(4 21 Cx 23 B-
+M  V30 r)
+M  V30 23 P 16.0586 -12.1117 0.0 0 CLASS=PHOSPHATE SEQID=1 ATTCHORD=(4 22 Al -
+M  V30 25 Br)
+M  V30 24 G 17.5586 -10.6117 0.0 0 CLASS=BASE SEQID=2 ATTCHORD=(4 25 Al 4 Ch)
+M  V30 25 R 17.5586 -12.1117 0.0 0 CLASS=SUGAR SEQID=2 ATTCHORD=(6 24 Cx 26 B-
+M  V30 r 23 Al)
+M  V30 26 P 19.0586 -12.1117 0.0 0 CLASS=PHOSPHATE SEQID=2 ATTCHORD=(4 25 Al -
+M  V30 28 Br)
+M  V30 27 C 20.5586 -10.6117 0.0 0 CLASS=BASE SEQID=3 ATTCHORD=(4 28 Al 7 Ch)
+M  V30 28 R 20.5586 -12.1117 0.0 0 CLASS=SUGAR SEQID=3 ATTCHORD=(6 27 Cx 29 B-
+M  V30 r 26 Al)
+M  V30 29 P 22.0586 -12.1117 0.0 0 CLASS=PHOSPHATE SEQID=3 ATTCHORD=(4 28 Al -
+M  V30 31 Br)
+M  V30 30 G 23.5586 -10.6117 0.0 0 CLASS=BASE SEQID=4 ATTCHORD=(4 31 Al 10 Ch)
+M  V30 31 R 23.5586 -12.1117 0.0 0 CLASS=SUGAR SEQID=4 ATTCHORD=(6 30 Cx 32 B-
+M  V30 r 29 Al)
+M  V30 32 P 25.0586 -12.1117 0.0 0 CLASS=PHOSPHATE SEQID=4 ATTCHORD=(4 31 Al -
+M  V30 34 Br)
+M  V30 33 G 26.5586 -10.6117 0.0 0 CLASS=BASE SEQID=5 ATTCHORD=(4 34 Al 13 Ch)
+M  V30 34 R 26.5586 -12.1117 0.0 0 CLASS=SUGAR SEQID=5 ATTCHORD=(6 33 Cx 35 B-
+M  V30 r 32 Al)
+M  V30 35 P 28.0586 -12.1117 0.0 0 CLASS=PHOSPHATE SEQID=5 ATTCHORD=(4 34 Al -
+M  V30 37 Br)
+M  V30 36 G 29.5586 -10.6117 0.0 0 CLASS=BASE SEQID=6 ATTCHORD=(4 37 Al 16 Ch)
+M  V30 37 R 29.5586 -12.1117 0.0 0 CLASS=SUGAR SEQID=6 ATTCHORD=(6 36 Cx 38 B-
+M  V30 r 35 Al)
+M  V30 38 P 31.0586 -12.1117 0.0 0 CLASS=PHOSPHATE SEQID=6 ATTCHORD=(4 37 Al -
+M  V30 39 Br)
+M  V30 39 R 32.5586 -12.1117 0.0 0 CLASS=SUGAR SEQID=7 ATTCHORD=(4 40 Cx 38 A-
+M  V30 l)
+M  V30 40 A 32.5586 -10.6117 0.0 0 CLASS=BASE SEQID=7 ATTCHORD=(4 39 Al 19 Ch)
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 1 3 4
+M  V30 3 1 1 5
+M  V30 4 1 5 3
+M  V30 5 1 6 7
+M  V30 6 1 3 8
+M  V30 7 1 8 6
+M  V30 8 1 9 10
+M  V30 9 1 6 11
+M  V30 10 1 11 9
+M  V30 11 1 12 13
+M  V30 12 1 9 14
+M  V30 13 1 14 12
+M  V30 14 1 15 16
+M  V30 15 1 12 17
+M  V30 16 1 17 15
+M  V30 17 1 18 19
+M  V30 18 1 15 20
+M  V30 19 1 20 18
+M  V30 20 1 21 22
+M  V30 21 1 22 23
+M  V30 22 10 2 21
+M  V30 23 1 24 25
+M  V30 24 1 25 26
+M  V30 25 1 23 25
+M  V30 26 10 4 24
+M  V30 27 1 27 28
+M  V30 28 1 28 29
+M  V30 29 1 26 28
+M  V30 30 10 7 27
+M  V30 31 1 30 31
+M  V30 32 1 31 32
+M  V30 33 1 29 31
+M  V30 34 10 10 30
+M  V30 35 1 33 34
+M  V30 36 1 34 35
+M  V30 37 1 32 34
+M  V30 38 10 13 33
+M  V30 39 1 36 37
+M  V30 40 1 37 38
+M  V30 41 1 35 37
+M  V30 42 10 16 36
+M  V30 43 1 39 40
+M  V30 44 1 38 39
+M  V30 45 10 19 40
+M  V30 END BOND
+M  V30 END CTAB
+M  V30 BEGIN TEMPLATE
+M  V30 TEMPLATE 1 SUGAR/Rib/R NATREPLACE=SUGAR/R
+M  V30 BEGIN CTAB
+M  V30 COUNTS 12 12 4 0 0
+M  V30 BEGIN ATOM
+M  V30 1 O -1.1017 -1.0663 0.0 0
+M  V30 2 C -0.5897 0.3436 0.0 0 CFG=1
+M  V30 3 C 0.0809 -1.9889 0.0 0 CFG=2
+M  V30 4 C 0.9095 0.2924 0.0 0 CFG=2
+M  V30 5 C 1.3239 -1.1493 0.0 0 CFG=1
+M  V30 6 O 1.8285 1.4755 0.0 0
+M  V30 7 O 2.4518 -1.5589 0.0 0
+M  V30 8 C -1.431 1.5834 0.0 0
+M  V30 9 O 0.0399 -3.1881 0.0 0
+M  V30 10 O -2.9279 1.4755 0.0 0
+M  V30 11 H -3.6017 2.4684 0.0 0
+M  V30 12 H 3.0174 1.3125 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 1 1 3
+M  V30 3 1 2 4
+M  V30 4 1 2 8 CFG=3
+M  V30 5 1 3 5
+M  V30 6 1 3 9 CFG=3
+M  V30 7 1 4 5
+M  V30 8 1 4 6 CFG=1
+M  V30 9 1 5 7 CFG=1
+M  V30 10 1 6 12
+M  V30 11 1 8 10
+M  V30 12 1 10 11
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(4 2 3 4 5)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 11) XBONDS=(1 12) BRKXYZ=(9 0.336900 -0.496450 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
+M  V30 S=LGRP
+M  V30 2 SUP 2 ATOMS=(1 12) XBONDS=(1 10) BRKXYZ=(9 -0.594450 0.081500 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(1 9) XBONDS=(1 6) BRKXYZ=(9 0.020500 0.599600 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLASS=-
+M  V30 LGRP
+M  V30 4 SUP 4 ATOMS=(9 1 2 3 4 5 6 7 8 10) XBONDS=(3 6 10 12) BRKXYZ=(9 -0.0-
+M  V30 20500 -0.599600 0.000000 0.594450 -0.081500 0.000000 0.000000 0.000000-
+M  V30  0.000000) BRKXYZ=(9 -0.336900 0.496450 0.000000 0.000000 0.000000 0.0-
+M  V30 00000 0.000000 0.000000 0.000000) LABEL=R CLASS=SUGAR SAP=(3 10 11 Al)-
+M  V30  SAP=(3 6 12 Br) SAP=(3 3 9 Cx) NATREPLACE=SUGAR/R
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 2 BASE/Thy/T NATREPLACE=BASE/T
+M  V30 BEGIN CTAB
+M  V30 COUNTS 10 10 2 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.8617 1.3499 0.0 0
+M  V30 2 C 1.1117 0.0509 0.0 0
+M  V30 3 C -0.3883 0.0509 0.0 0
+M  V30 4 N -1.1382 1.35 0.0 0
+M  V30 5 C -0.3882 2.649 0.0 0
+M  V30 6 N 1.1117 2.6489 0.0 0
+M  V30 7 O 3.0618 1.3499 0.0 0
+M  V30 8 O -0.9882 3.6882 0.0 0
+M  V30 9 H -2.3383 1.35 0.0 0
+M  V30 10 C 1.7117 -0.9884 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 1 7
+M  V30 2 1 1 6
+M  V30 3 1 1 2
+M  V30 4 2 2 3
+M  V30 5 1 3 4
+M  V30 6 1 4 5
+M  V30 7 1 4 9
+M  V30 8 2 5 8
+M  V30 9 1 5 6
+M  V30 10 1 2 10
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 9) XBONDS=(1 7) BRKXYZ=(9 0.600050 0.000000 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=L-
+M  V30 GRP
+M  V30 2 SUP 2 ATOMS=(9 1 2 3 4 5 6 7 8 10) XBONDS=(1 7) BRKXYZ=(9 -0.600050 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.00000-
+M  V30 0) LABEL=T CLASS=BASE SAP=(3 4 9 Al) SAP=(3 8 0 Ch) SAP=(3 6 0 Ch) SAP=(3 7 0 Ch) NATREPLACE=BASE/T
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 3 BASE/Cyt/C NATREPLACE=BASE/C
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 9 2 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.8617 1.3499 0.0 0
+M  V30 2 C 1.1117 2.6489 0.0 0
+M  V30 3 C -0.3882 2.649 0.0 0
+M  V30 4 N -1.1382 1.35 0.0 0
+M  V30 5 C -0.3883 0.0509 0.0 0
+M  V30 6 N 1.1117 0.0509 0.0 0
+M  V30 7 N 3.0618 1.3499 0.0 0
+M  V30 8 O -0.9884 -0.9883 0.0 0
+M  V30 9 H -2.3383 1.35 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 2 1 6
+M  V30 3 1 1 7
+M  V30 4 2 2 3
+M  V30 5 1 3 4
+M  V30 6 1 4 5
+M  V30 7 1 4 9
+M  V30 8 1 5 6
+M  V30 9 2 5 8
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 9) XBONDS=(1 7) BRKXYZ=(9 0.600050 0.000000 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=L-
+M  V30 GRP
+M  V30 2 SUP 2 ATOMS=(8 1 2 3 4 5 6 7 8) XBONDS=(1 7) BRKXYZ=(9 -0.600050 0.0-
+M  V30 00000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) -
+M  V30 LABEL=C CLASS=BASE SAP=(3 4 9 Al) SAP=(3 8 0 Ch) SAP=(3 6 0 Ch) SAP=(3 7 0 Ch)  NATREPLACE=BASE/C
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 4 PHOSPHATE/P/P NATREPLACE=PHOSPHATE/P
+M  V30 BEGIN CTAB
+M  V30 COUNTS 5 4 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 P -0.2399 0.0 0.0 0
+M  V30 2 O -1.4399 0.0 0.0 0
+M  V30 3 O 0.3598 -1.0394 0.0 0
+M  V30 4 O 0.9601 0.0 0.0 0
+M  V30 5 O 0.3598 1.0394 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 2 1 3
+M  V30 3 1 1 4
+M  V30 4 1 1 5
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 2) XBONDS=(1 1) BRKXYZ=(9 0.600000 0.000000 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 4) XBONDS=(1 3) BRKXYZ=(9 -0.600000 0.000000 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLASS-
+M  V30 =LGRP
+M  V30 3 SUP 3 ATOMS=(3 1 3 5) XBONDS=(2 1 3) BRKXYZ=(9 -0.600000 0.000000 0.-
+M  V30 000000 0.600000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=P -
+M  V30 CLASS=PHOSPHATE SAP=(3 1 2 Al) SAP=(3 1 4 Br) NATREPLACE=PHOSPHATE/P
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 5 BASE/Gua/G NATREPLACE=BASE/G
+M  V30 BEGIN CTAB
+M  V30 COUNTS 12 13 2 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.0354 0.2498 0.0 0
+M  V30 2 C -0.0792 -0.754 0.0 0
+M  V30 3 C -1.5057 -0.2906 0.0 0
+M  V30 4 N -1.8177 1.1766 0.0 0
+M  V30 5 C -0.7031 2.1804 0.0 0
+M  V30 6 N 0.7235 1.717 0.0 0
+M  V30 7 N -2.3871 -1.5034 0.0 0
+M  V30 8 C -1.5053 -2.7168 0.0 0
+M  V30 9 N -0.0787 -2.2532 0.0 0
+M  V30 10 O 2.1768 -0.1209 0.0 0
+M  V30 11 N -0.9527 3.3542 0.0 0
+M  V30 12 H -3.5871 -1.5034 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 1 10
+M  V30 2 1 1 6
+M  V30 3 1 1 2
+M  V30 4 1 9 2
+M  V30 5 2 2 3
+M  V30 6 1 7 3
+M  V30 7 1 3 4
+M  V30 8 2 4 5
+M  V30 9 1 5 6
+M  V30 10 1 5 11
+M  V30 11 1 7 8
+M  V30 12 1 7 12
+M  V30 13 2 8 9
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 12) XBONDS=(1 12) BRKXYZ=(9 0.600000 0.000000 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS-
+M  V30 =LGRP
+M  V30 2 SUP 2 ATOMS=(11 1 2 3 4 5 6 7 8 9 10 11) XBONDS=(1 12) BRKXYZ=(9 -0.-
+M  V30 600000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -
+M  V30 0.000000) LABEL=G CLASS=BASE SAP=(3 7 12 Al) SAP=(3 11 0 Ch) SAP=(3 6 0 Ch) SAP=(3 10 0 Ch) NATREPLACE=BASE/G
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 6 BASE/Ade/A NATREPLACE=BASE/A
+M  V30 BEGIN CTAB
+M  V30 COUNTS 11 12 2 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.0354 0.2498 0.0 0
+M  V30 2 C -0.0792 -0.754 0.0 0
+M  V30 3 C -1.5057 -0.2906 0.0 0
+M  V30 4 N -1.8177 1.1766 0.0 0
+M  V30 5 C -0.7031 2.1804 0.0 0
+M  V30 6 N 0.7235 1.717 0.0 0
+M  V30 7 N -2.3871 -1.5034 0.0 0
+M  V30 8 C -1.5053 -2.7168 0.0 0
+M  V30 9 N -0.0787 -2.2532 0.0 0
+M  V30 10 N 2.1768 -0.1209 0.0 0
+M  V30 11 H -3.5871 -1.5034 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 10
+M  V30 2 2 1 6
+M  V30 3 1 1 2
+M  V30 4 1 9 2
+M  V30 5 2 2 3
+M  V30 6 1 7 3
+M  V30 7 1 3 4
+M  V30 8 2 4 5
+M  V30 9 1 5 6
+M  V30 10 1 7 8
+M  V30 11 1 7 11
+M  V30 12 2 8 9
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 11) XBONDS=(1 11) BRKXYZ=(9 0.600000 0.000000 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS-
+M  V30 =LGRP
+M  V30 2 SUP 2 ATOMS=(10 1 2 3 4 5 6 7 8 9 10) XBONDS=(1 11) BRKXYZ=(9 -0.600-
+M  V30 000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.0-
+M  V30 00000) LABEL=A CLASS=BASE SAP=(3 7 11 Al) SAP=(3 5 0 Ch) SAP=(3 6 0 Ch) SAP=(3 10 0 Ch) NATREPLACE=BASE/A
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 END TEMPLATE
+M  END
diff --git a/Code/GraphMol/FileParsers/test_data/macromols/Mixed.mol b/Code/GraphMol/FileParsers/test_data/macromols/Mixed.mol
new file mode 100644
index 000000000..3a11bbf0b
--- /dev/null
+++ b/Code/GraphMol/FileParsers/test_data/macromols/Mixed.mol
@@ -0,0 +1,234 @@
+
+  -INDIGO-12312410102D
+
+  0  0  0  0  0  0  0  0  0  0  0 V3000
+M  V30 BEGIN CTAB
+M  V30 COUNTS 14 16 0 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 4.45064 -7.65797 0.0 0
+M  V30 2 C 6.18094 -7.65748 0.0 0
+M  V30 3 C 5.31743 -7.15786 0.0 0
+M  V30 4 C 6.18094 -8.65843 0.0 0
+M  V30 5 C 4.45064 -8.66292 0.0 0
+M  V30 6 C 5.31961 -9.15793 0.0 0
+M  V30 7 A 11.75 -1.25 0.0 0 CLASS=AA SEQID=8 ATTCHORD=(4 14 Al 3 Br)
+M  V30 8 G 1.25 -1.25 0.0 0 CLASS=AA SEQID=1 ATTCHORD=(4 9 Br 1 Al)
+M  V30 9 G 2.75 -1.25 0.0 0 CLASS=AA SEQID=2 ATTCHORD=(4 8 Al 10 Br)
+M  V30 10 C 4.25 -1.25 0.0 0 CLASS=AA SEQID=3 ATTCHORD=(6 9 Al 11 Br 13 Cx)
+M  V30 11 L 5.75 -1.25 0.0 0 CLASS=AA SEQID=4 ATTCHORD=(4 10 Al 12 Br)
+M  V30 12 P 7.25 -1.25 0.0 0 CLASS=AA SEQID=5 ATTCHORD=(4 11 Al 13 Br)
+M  V30 13 C 8.75 -1.25 0.0 0 CLASS=AA SEQID=6 ATTCHORD=(6 12 Al 14 Br 10 Cx)
+M  V30 14 A 10.25 -1.25 0.0 0 CLASS=AA SEQID=7 ATTCHORD=(4 13 Al 7 Br)
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 3 1
+M  V30 2 2 1 5
+M  V30 3 1 5 6
+M  V30 4 2 6 4
+M  V30 5 1 4 2
+M  V30 6 2 2 3
+M  V30 7 1 8 9
+M  V30 8 1 9 10
+M  V30 9 1 10 11
+M  V30 10 1 11 12
+M  V30 11 1 12 13
+M  V30 12 1 13 14
+M  V30 13 1 14 7
+M  V30 14 1 10 13
+M  V30 15 1 7 3
+M  V30 16 1 8 1
+M  V30 END BOND
+M  V30 END CTAB
+M  V30 BEGIN TEMPLATE
+M  V30 TEMPLATE 1 AA/Ala/A/ NATREPLACE=AA/A
+M  V30 BEGIN CTAB
+M  V30 COUNTS 7 6 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 N -1.2549 -0.392 0.0 0
+M  V30 2 C -0.272 0.2633 0.0 0 CFG=1
+M  V30 3 C -0.3103 1.7393 0.0 0
+M  V30 4 C 1.0523 -0.392 0.0 0
+M  V30 5 O 1.0829 -1.5722 0.0 0
+M  V30 6 O 2.0353 0.2633 0.0 0
+M  V30 7 H -2.3334 0.0905 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 2 1
+M  V30 2 1 2 3 CFG=1
+M  V30 3 1 2 4
+M  V30 4 2 4 5
+M  V30 5 1 4 6
+M  V30 6 1 1 7
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 2)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 7) XBONDS=(1 6) BRKXYZ=(9 0.539250 -0.241250 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 6) XBONDS=(1 5) BRKXYZ=(9 -0.491500 -0.327650 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(5 1 2 3 4 5) XBONDS=(2 6 5) BRKXYZ=(9 -0.539250 0.24125-
+M  V30 0 0.000000 0.491500 0.327650 0.000000 0.000000 0.000000 0.000000) LABE-
+M  V30 L=A CLASS=AA SAP=(3 1 7 Al) SAP=(3 4 6 Br) NATREPLACE=AA/A
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 2 AA/Gly/G/ NATREPLACE=AA/G
+M  V30 BEGIN CTAB
+M  V30 COUNTS 6 5 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C -0.3363 0.5346 0.0 0
+M  V30 2 C 0.9929 -0.1107 0.0 0
+M  V30 3 O 1.0782 -1.289 0.0 0
+M  V30 4 O 1.9709 0.552 0.0 0
+M  V30 5 N -1.326 -0.1107 0.0 0
+M  V30 6 H -2.3797 0.4238 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 2 2 3
+M  V30 3 1 2 4
+M  V30 4 1 1 5
+M  V30 5 1 5 6
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 6) XBONDS=(1 5) BRKXYZ=(9 0.526850 -0.267250 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 4) XBONDS=(1 3) BRKXYZ=(9 -0.489000 -0.331350 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(4 1 2 3 5) XBONDS=(2 3 5) BRKXYZ=(9 0.489000 0.331350 0-
+M  V30 .000000 -0.526850 0.267250 0.000000 0.000000 0.000000 0.000000) LABEL=-
+M  V30 G CLASS=AA SAP=(3 5 6 Al) SAP=(3 2 4 Br) NATREPLACE=AA/G
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 3 AA/Cys/C/ NATREPLACE=AA/C
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 8 4 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.4457 -1.1333 0.0 0
+M  V30 2 C 0.1453 -0.384 0.0 0 CFG=2
+M  V30 3 C 0.143 1.1168 0.0 0
+M  V30 4 S -1.1573 1.8661 0.0 0
+M  V30 5 N -1.1551 -1.1333 0.0 0
+M  V30 6 O 1.4475 -2.3333 0.0 0
+M  V30 7 O 2.4842 -0.532 0.0 0
+M  V30 8 H -2.1942 -0.5331 0.0 0
+M  V30 9 H -1.1591 3.0661 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 6 1
+M  V30 2 1 1 2
+M  V30 3 1 1 7
+M  V30 4 1 2 5
+M  V30 5 1 2 3 CFG=1
+M  V30 6 1 3 4
+M  V30 7 1 5 8
+M  V30 8 1 4 9
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 2)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 8) XBONDS=(1 7) BRKXYZ=(9 0.519550 -0.300100 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 7) XBONDS=(1 3) BRKXYZ=(9 -0.519250 -0.300650 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(1 9) XBONDS=(1 8) BRKXYZ=(9 0.000900 -0.600000 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 4 SUP 4 ATOMS=(6 1 2 3 4 5 6) XBONDS=(3 3 8 7) BRKXYZ=(9 0.519250 0.30-
+M  V30 0650 0.000000 -0.000900 0.600000 0.000000 0.000000 0.000000 0.000000) -
+M  V30 BRKXYZ=(9 -0.519550 0.300100 0.000000 0.000000 0.000000 0.000000 0.000-
+M  V30 000 0.000000 0.000000) LABEL=C CLASS=AA SAP=(3 5 8 Al) SAP=(3 1 7 Br) -
+M  V30 SAP=(3 4 9 Cx) NATREPLACE=AA/C
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 4 AA/Leu/L/ NATREPLACE=AA/L
+M  V30 BEGIN CTAB
+M  V30 COUNTS 10 9 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 0.3626 0.9903 0.0 0
+M  V30 2 C -0.9395 2.9396 0.0 0
+M  V30 3 C -0.9377 1.7396 0.0 0
+M  V30 4 C -1.9763 1.1383 0.0 0
+M  V30 5 C 0.3649 -0.5105 0.0 0 CFG=1
+M  V30 6 C 1.6653 -1.2598 0.0 0
+M  V30 7 O 1.6671 -2.4598 0.0 0
+M  V30 8 N -0.9355 -1.2598 0.0 0
+M  V30 9 O 2.7038 -0.6585 0.0 0
+M  V30 10 H -1.9746 -0.6596 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 3 1
+M  V30 2 1 5 1 CFG=1
+M  V30 3 1 3 2
+M  V30 4 1 3 4
+M  V30 5 1 5 8
+M  V30 6 1 5 6
+M  V30 7 2 6 7
+M  V30 8 1 6 9
+M  V30 9 1 8 10
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 5)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 10) XBONDS=(1 9) BRKXYZ=(9 0.519550 -0.300100 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS-
+M  V30 =LGRP
+M  V30 2 SUP 2 ATOMS=(1 9) XBONDS=(1 8) BRKXYZ=(9 -0.519250 -0.300650 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(8 1 2 3 4 5 6 7 8) XBONDS=(2 8 9) BRKXYZ=(9 0.519250 0.-
+M  V30 300650 0.000000 -0.519550 0.300100 0.000000 0.000000 0.000000 0.000000-
+M  V30 ) LABEL=L CLASS=AA SAP=(3 8 10 Al) SAP=(3 6 9 Br) NATREPLACE=AA/L
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 5 AA/Pro/P/ NATREPLACE=AA/P
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 9 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 0.0018 1.6555 0.0 0
+M  V30 2 C -1.4799 1.889 0.0 0
+M  V30 3 C -2.1599 0.5519 0.0 0
+M  V30 4 N -1.0984 -0.5079 0.0 0
+M  V30 5 C 0.2376 0.1741 0.0 0 CFG=2
+M  V30 6 C 1.5717 -0.5079 0.0 0
+M  V30 7 O 1.6336 -1.7063 0.0 0
+M  V30 8 O 2.5787 0.1448 0.0 0
+M  V30 9 H -1.2852 -1.6933 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 1 5 1 CFG=1
+M  V30 3 1 2 3
+M  V30 4 1 3 4
+M  V30 5 1 4 5
+M  V30 6 1 5 6
+M  V30 7 2 6 7
+M  V30 8 1 6 8
+M  V30 9 1 4 9
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 5)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 9) XBONDS=(1 9) BRKXYZ=(9 0.093400 0.592700 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=L-
+M  V30 GRP
+M  V30 2 SUP 2 ATOMS=(1 8) XBONDS=(1 8) BRKXYZ=(9 -0.503500 -0.326350 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(7 1 2 3 4 5 6 7) XBONDS=(2 9 8) BRKXYZ=(9 -0.093400 -0.-
+M  V30 592700 0.000000 0.503500 0.326350 0.000000 0.000000 0.000000 0.000000)-
+M  V30  LABEL=P CLASS=AA SAP=(3 4 9 Al) SAP=(3 6 8 Br) NATREPLACE=AA/P
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 END TEMPLATE
+M  END
diff --git a/Code/GraphMol/FileParsers/test_data/macromols/ModifiedPeptide2.mol b/Code/GraphMol/FileParsers/test_data/macromols/ModifiedPeptide2.mol
new file mode 100644
index 000000000..757210131
--- /dev/null
+++ b/Code/GraphMol/FileParsers/test_data/macromols/ModifiedPeptide2.mol
@@ -0,0 +1,1031 @@
+
+  -INDIGO-03122509342D
+
+  0  0  0  0  0  0  0  0  0  0  0 V3000
+M  V30 BEGIN CTAB
+M  V30 COUNTS 50 48 0 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 9.85311 -2.06489 0.0 0 CLASS=AA SEQID=1 ATTCHORD=(6 50 Al 45 Cx 2 -
+M  V30 Br)
+M  V30 2 L 10.6531 -2.06489 0.0 0 CLASS=AA SEQID=2 ATTCHORD=(4 3 Br 1 Al)
+M  V30 3 D 11.4531 -2.06489 0.0 0 CLASS=AA SEQID=3 ATTCHORD=(4 2 Al 4 Br)
+M  V30 4 Y 8.32644 -2.87156 0.0 0 CLASS=AA SEQID=4 ATTCHORD=(4 3 Al 5 Br)
+M  V30 5 D 9.12644 -2.87156 0.0 0 CLASS=AA SEQID=5 ATTCHORD=(4 4 Al 6 Br)
+M  V30 6 E 9.92644 -2.87156 0.0 0 CLASS=AA SEQID=6 ATTCHORD=(4 5 Al 7 Br)
+M  V30 7 E 10.7264 -2.87156 0.0 0 CLASS=AA SEQID=7 ATTCHORD=(4 6 Al 8 Br)
+M  V30 8 I 11.5264 -2.87156 0.0 0 CLASS=AA SEQID=8 ATTCHORD=(4 7 Al 9 Br)
+M  V30 9 L 8.32644 -3.67822 0.0 0 CLASS=AA SEQID=9 ATTCHORD=(4 8 Al 10 Br)
+M  V30 10 D 9.12644 -3.67822 0.0 0 CLASS=AA SEQID=10 ATTCHORD=(4 9 Al 11 Br)
+M  V30 11 T 9.92644 -3.67822 0.0 0 CLASS=AA SEQID=11 ATTCHORD=(4 10 Al 12 Br)
+M  V30 12 A 10.7264 -3.67822 0.0 0 CLASS=AA SEQID=12 ATTCHORD=(4 11 Al 13 Br)
+M  V30 13 L 11.5264 -3.67822 0.0 0 CLASS=AA SEQID=13 ATTCHORD=(4 12 Al 14 Br)
+M  V30 14 K 8.32644 -4.48489 0.0 0 CLASS=AA SEQID=14 ATTCHORD=(4 13 Al 15 Br)
+M  V30 15 R 9.12644 -4.48489 0.0 0 CLASS=AA SEQID=15 ATTCHORD=(4 14 Al 16 Br)
+M  V30 16 E 9.92644 -4.48489 0.0 0 CLASS=AA SEQID=16 ATTCHORD=(4 15 Al 17 Br)
+M  V30 17 Q 10.7264 -4.48489 0.0 0 CLASS=AA SEQID=17 ATTCHORD=(4 16 Al 18 Br)
+M  V30 18 F 11.5264 -4.48489 0.0 0 CLASS=AA SEQID=18 ATTCHORD=(4 17 Al 19 Br)
+M  V30 19 F 8.32644 -5.29156 0.0 0 CLASS=AA SEQID=19 ATTCHORD=(4 18 Al 20 Br)
+M  V30 20 Q 9.12644 -5.29156 0.0 0 CLASS=AA SEQID=20 ATTCHORD=(4 19 Al 21 Br)
+M  V30 21 Y 9.92644 -5.29156 0.0 0 CLASS=AA SEQID=21 ATTCHORD=(4 20 Al 22 Br)
+M  V30 22 L 10.7264 -5.29156 0.0 0 CLASS=AA SEQID=22 ATTCHORD=(4 21 Al 23 Br)
+M  V30 23 P 11.5264 -5.29156 0.0 0 CLASS=AA SEQID=23 ATTCHORD=(4 22 Al 24 Br)
+M  V30 24 G 8.32644 -6.09822 0.0 0 CLASS=AA SEQID=24 ATTCHORD=(4 23 Al 25 Br)
+M  V30 25 E 9.12644 -6.09822 0.0 0 CLASS=AA SEQID=25 ATTCHORD=(4 24 Al 26 Br)
+M  V30 26 C 9.92644 -6.09822 0.0 0 CLASS=AA SEQID=26 ATTCHORD=(4 25 Al 27 Br)
+M  V30 27 I 10.7264 -6.09822 0.0 0 CLASS=AA SEQID=27 ATTCHORD=(4 26 Al 28 Br)
+M  V30 28 G 11.5264 -6.09822 0.0 0 CLASS=AA SEQID=28 ATTCHORD=(4 27 Al 29 Br)
+M  V30 29 A 8.32644 -6.90489 0.0 0 CLASS=AA SEQID=29 ATTCHORD=(4 28 Al 30 Br)
+M  V30 30 D 9.12644 -6.90489 0.0 0 CLASS=AA SEQID=30 ATTCHORD=(4 29 Al 31 Br)
+M  V30 31 I 9.92644 -6.90489 0.0 0 CLASS=AA SEQID=31 ATTCHORD=(4 30 Al 32 Br)
+M  V30 32 C 10.7264 -6.90489 0.0 0 CLASS=AA SEQID=32 ATTCHORD=(4 31 Al 33 Br)
+M  V30 33 E 11.5264 -6.90489 0.0 0 CLASS=AA SEQID=33 ATTCHORD=(4 32 Al 34 Br)
+M  V30 34 Y 8.32644 -7.71156 0.0 0 CLASS=AA SEQID=34 ATTCHORD=(4 33 Al 35 Br)
+M  V30 35 I 9.12644 -7.71156 0.0 0 CLASS=AA SEQID=35 ATTCHORD=(4 34 Al 36 Br)
+M  V30 36 Q 9.92644 -7.71156 0.0 0 CLASS=AA SEQID=36 ATTCHORD=(4 35 Al 37 Br)
+M  V30 37 A 10.7264 -7.71156 0.0 0 CLASS=AA SEQID=37 ATTCHORD=(4 36 Al 38 Br)
+M  V30 38 S 11.5264 -7.71156 0.0 0 CLASS=AA SEQID=38 ATTCHORD=(4 37 Al 39 Br)
+M  V30 39 F 8.32644 -8.51822 0.0 0 CLASS=AA SEQID=39 ATTCHORD=(4 38 Al 40 Br)
+M  V30 40 N 9.12644 -8.51822 0.0 0 CLASS=AA SEQID=40 ATTCHORD=(4 39 Al 41 Br)
+M  V30 41 L 9.92644 -8.51822 0.0 0 CLASS=AA SEQID=41 ATTCHORD=(4 40 Al 42 Br)
+M  V30 42 G 10.7264 -8.51822 0.0 0 CLASS=AA SEQID=42 ATTCHORD=(4 41 Al 43 Br)
+M  V30 43 C 11.5264 -8.51822 0.0 0 CLASS=AA SEQID=43 ATTCHORD=(4 42 Al 44 Br)
+M  V30 44 S 8.32644 -9.32489 0.0 0 CLASS=AA SEQID=44 ATTCHORD=(2 43 Al)
+M  V30 45 Test-6-Ch 8.32644 -1.27156 0.0 0 CLASS=LINKER ATTCHORD=(4 46 Ex 1 F-
+M  V30 x)
+M  V30 46 PEG2 8.32644 -10.1316 0.0 0 CLASS=LINKER ATTCHORD=(4 45 Al 47 Br)
+M  V30 47 DALys 8.32644 -10.9249 0.0 0 CLASS=AA SEQID=1 ATTCHORD=(2 46 Br)
+M  V30 48 PEG2 8.32644 -10.1316 0.0 0 CLASS=LINKER
+M  V30 49 DAPhe 8.32644 -2.06489 0.0 0 CLASS=AA SEQID=1 ATTCHORD=(2 50 Br)
+M  V30 50 PEG2 9.12644 -2.06489 0.0 0 CLASS=LINKER ATTCHORD=(4 49 Al 1 Br)
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 2 3
+M  V30 2 1 3 4
+M  V30 3 1 4 5
+M  V30 4 1 5 6
+M  V30 5 1 6 7
+M  V30 6 1 7 8
+M  V30 7 1 8 9
+M  V30 8 1 9 10
+M  V30 9 1 10 11
+M  V30 10 1 11 12
+M  V30 11 1 12 13
+M  V30 12 1 13 14
+M  V30 13 1 14 15
+M  V30 14 1 15 16
+M  V30 15 1 16 17
+M  V30 16 1 17 18
+M  V30 17 1 18 19
+M  V30 18 1 19 20
+M  V30 19 1 20 21
+M  V30 20 1 21 22
+M  V30 21 1 22 23
+M  V30 22 1 23 24
+M  V30 23 1 24 25
+M  V30 24 1 25 26
+M  V30 25 1 26 27
+M  V30 26 1 27 28
+M  V30 27 1 28 29
+M  V30 28 1 29 30
+M  V30 29 1 30 31
+M  V30 30 1 31 32
+M  V30 31 1 32 33
+M  V30 32 1 33 34
+M  V30 33 1 34 35
+M  V30 34 1 35 36
+M  V30 35 1 36 37
+M  V30 36 1 37 38
+M  V30 37 1 38 39
+M  V30 38 1 39 40
+M  V30 39 1 40 41
+M  V30 40 1 41 42
+M  V30 41 1 42 43
+M  V30 42 1 43 44
+M  V30 43 1 45 46
+M  V30 44 1 46 47
+M  V30 45 1 49 50
+M  V30 46 1 50 1
+M  V30 47 1 45 1
+M  V30 48 1 1 2
+M  V30 END BOND
+M  V30 END CTAB
+M  V30 BEGIN TEMPLATE
+M  V30 TEMPLATE 1 AA/Cys/C/ NATREPLACE=AA/C
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 8 4 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.07057 -0.839232 0.0 0
+M  V30 2 C 0.107598 -0.28436 0.0 0 CFG=2
+M  V30 3 C 0.105894 0.827013 0.0 0
+M  V30 4 S -0.857004 1.38189 0.0 0
+M  V30 5 N -0.855375 -0.839232 0.0 0
+M  V30 6 O 1.0719 -1.72786 0.0 0
+M  V30 7 O 1.8396 -0.393957 0.0 0
+M  V30 8 H -1.62485 -0.394771 0.0 0
+M  V30 9 H -0.858337 2.27051 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 6 1
+M  V30 2 1 1 2
+M  V30 3 1 1 7
+M  V30 4 1 2 5
+M  V30 5 1 2 3 CFG=1
+M  V30 6 1 3 4
+M  V30 7 1 5 8
+M  V30 8 1 4 9
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 2)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 8) XBONDS=(1 7) BRKXYZ=(9 0.384737 -0.222230 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 7) XBONDS=(1 3) BRKXYZ=(9 -0.384515 -0.222637 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(1 9) XBONDS=(1 8) BRKXYZ=(9 0.000666 -0.444312 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 4 SUP 4 ATOMS=(6 1 2 3 4 5 6) XBONDS=(3 3 8 7) BRKXYZ=(9 0.384515 0.22-
+M  V30 2637 0.000000 -0.000666 0.444312 0.000000 0.000000 0.000000 0.000000) -
+M  V30 BRKXYZ=(9 -0.384737 0.222230 0.000000 0.000000 0.000000 0.000000 0.000-
+M  V30 000 0.000000 0.000000) LABEL=C CLASS=AA SAP=(3 5 8 Al) SAP=(3 1 7 Br) -
+M  V30 SAP=(3 4 9 Cx) NATREPLACE=AA/C
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 2 AA/Leu/L/ NATREPLACE=AA/L
+M  V30 BEGIN CTAB
+M  V30 COUNTS 10 9 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 0.271875 0.74252 0.0 0
+M  V30 2 C -0.70443 2.20409 0.0 0
+M  V30 3 C -0.703081 1.30434 0.0 0
+M  V30 4 C -1.48182 0.853489 0.0 0
+M  V30 5 C 0.273599 -0.382769 0.0 0 CFG=1
+M  V30 6 C 1.24863 -0.944589 0.0 0
+M  V30 7 O 1.24998 -1.84434 0.0 0
+M  V30 8 N -0.701431 -0.944589 0.0 0
+M  V30 9 O 2.02729 -0.493738 0.0 0
+M  V30 10 H -1.48054 -0.494563 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 3 1
+M  V30 2 1 5 1 CFG=1
+M  V30 3 1 3 2
+M  V30 4 1 3 4
+M  V30 5 1 5 8
+M  V30 6 1 5 6
+M  V30 7 2 6 7
+M  V30 8 1 6 9
+M  V30 9 1 8 10
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 5)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 10) XBONDS=(1 9) BRKXYZ=(9 0.389555 -0.225013 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS-
+M  V30 =LGRP
+M  V30 2 SUP 2 ATOMS=(1 9) XBONDS=(1 8) BRKXYZ=(9 -0.389330 -0.225425 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(8 1 2 3 4 5 6 7 8) XBONDS=(2 8 9) BRKXYZ=(9 0.389330 0.-
+M  V30 225425 0.000000 -0.389555 0.225013 0.000000 0.000000 0.000000 0.000000-
+M  V30 ) LABEL=L CLASS=AA SAP=(3 8 10 Al) SAP=(3 6 9 Br) NATREPLACE=AA/L
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 3 AA/Asp/D/ NATREPLACE=AA/D
+M  V30 BEGIN CTAB
+M  V30 COUNTS 11 10 4 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.631 -1.5578 0.0 0
+M  V30 2 O 1.6327 -2.7392 0.0 0
+M  V30 3 C 0.3507 -0.8201 0.0 0 CFG=1
+M  V30 4 N -0.9295 -1.5578 0.0 0
+M  V30 5 H -1.9525 -0.9669 0.0 0
+M  V30 6 C 0.3485 0.6575 0.0 0
+M  V30 7 C -0.9317 1.3952 0.0 0
+M  V30 8 O -1.9542 0.8032 0.0 0
+M  V30 9 O -0.9335 2.5766 0.0 0
+M  V30 10 O 2.6534 -0.9658 0.0 0
+M  V30 11 H 0.0851 3.1751 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 2 1
+M  V30 2 1 1 3
+M  V30 3 1 3 4
+M  V30 4 1 4 5
+M  V30 5 1 3 6 CFG=1
+M  V30 6 1 6 7
+M  V30 7 2 7 8
+M  V30 8 1 7 9
+M  V30 9 1 1 10
+M  V30 10 1 9 11
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 3)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 5) XBONDS=(1 4) BRKXYZ=(9 0.511500 -0.295450 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 10) XBONDS=(1 9) BRKXYZ=(9 -0.511200 -0.296000 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLA-
+M  V30 SS=LGRP
+M  V30 3 SUP 3 ATOMS=(1 11) XBONDS=(1 10) BRKXYZ=(9 -0.509300 -0.299250 0.000-
+M  V30 000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLA-
+M  V30 SS=LGRP
+M  V30 4 SUP 4 ATOMS=(8 1 2 3 4 6 7 8 9) XBONDS=(3 9 4 10) BRKXYZ=(9 0.511200-
+M  V30  0.296000 0.000000 -0.511500 0.295450 0.000000 0.000000 0.000000 0.000-
+M  V30 000) BRKXYZ=(9 0.509300 0.299250 0.000000 0.000000 0.000000 0.000000 0-
+M  V30 .000000 0.000000 0.000000) LABEL=D CLASS=AA SAP=(3 4 5 Al) SAP=(3 1 10-
+M  V30  Br) SAP=(3 9 11 Cx) NATREPLACE=AA/D
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 4 AA/Tyr/Y/ NATREPLACE=AA/Y
+M  V30 BEGIN CTAB
+M  V30 COUNTS 15 15 4 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 2.2957 -1.9502 0.0 0
+M  V30 2 O 2.2972 -2.8951 0.0 0
+M  V30 3 C 1.2718 -1.3602 0.0 0 CFG=1
+M  V30 4 N 0.2479 -1.9502 0.0 0
+M  V30 5 H -0.5703 -1.4776 0.0 0
+M  V30 6 C 1.2701 -0.1785 0.0 0
+M  V30 7 C 0.2461 0.4114 0.0 0
+M  V30 8 C 0.2426 1.5925 0.0 0
+M  V30 9 C -0.782 2.1801 0.0 0
+M  V30 10 C -1.8031 1.5866 0.0 0
+M  V30 11 C -1.7996 0.4055 0.0 0
+M  V30 12 C -0.7751 -0.182 0.0 0
+M  V30 13 O -2.6228 2.0566 0.0 0
+M  V30 14 O 3.1134 -1.4768 0.0 0
+M  V30 15 H -2.6319 3.2381 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 2 1
+M  V30 2 1 1 3
+M  V30 3 1 3 4
+M  V30 4 1 4 5
+M  V30 5 1 3 6 CFG=1
+M  V30 6 1 6 7
+M  V30 7 1 8 7
+M  V30 8 2 9 8
+M  V30 9 1 10 9
+M  V30 10 2 11 10
+M  V30 11 2 12 7
+M  V30 12 1 12 11
+M  V30 13 1 10 13
+M  V30 14 1 1 14
+M  V30 15 1 13 15
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 3)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 5) XBONDS=(1 4) BRKXYZ=(9 0.409100 -0.236300 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 14) XBONDS=(1 14) BRKXYZ=(9 -0.408850 -0.236700 0.000-
+M  V30 000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CL-
+M  V30 ASS=LGRP
+M  V30 3 SUP 3 ATOMS=(1 15) XBONDS=(1 15) BRKXYZ=(9 0.004550 -0.590750 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
+M  V30 S=LGRP
+M  V30 4 SUP 4 ATOMS=(12 1 2 3 4 6 7 8 9 10 11 12 13) XBONDS=(3 14 4 15) BRKX-
+M  V30 YZ=(9 0.408850 0.236700 0.000000 -0.409100 0.236300 0.000000 0.000000 -
+M  V30 0.000000 0.000000) BRKXYZ=(9 -0.004550 0.590750 0.000000 0.000000 0.00-
+M  V30 0000 0.000000 0.000000 0.000000 0.000000) LABEL=Y CLASS=AA SAP=(3 4 5 -
+M  V30 Al) SAP=(3 1 14 Br) SAP=(3 13 15 Cx) NATREPLACE=AA/Y
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 5 AA/Glu/E/ NATREPLACE=AA/E
+M  V30 BEGIN CTAB
+M  V30 COUNTS 12 11 4 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 0.261542 -1.12284 0.0 0 CFG=1
+M  V30 2 C 1.23431 -1.68338 0.0 0
+M  V30 3 O 1.2356 -2.58107 0.0 0
+M  V30 4 O 2.01126 -1.23355 0.0 0
+M  V30 5 N -0.711299 -1.68338 0.0 0
+M  V30 6 H -1.48863 -1.23438 0.0 0
+M  V30 7 C 0.259794 0.0 0.0 0
+M  V30 8 C -0.712971 0.560392 0.0 0
+M  V30 9 C -0.714719 1.68315 0.0 0
+M  V30 10 O -1.49251 2.13131 0.0 0
+M  V30 11 O 0.062232 2.13299 0.0 0
+M  V30 12 H 0.0553933 3.03068 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 2 1
+M  V30 2 2 2 3
+M  V30 3 1 2 4
+M  V30 4 1 1 5
+M  V30 5 1 5 6
+M  V30 6 1 1 7 CFG=1
+M  V30 7 1 7 8
+M  V30 8 1 8 9
+M  V30 9 2 9 10
+M  V30 10 1 9 11
+M  V30 11 1 11 12
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 1)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 6) XBONDS=(1 5) BRKXYZ=(9 0.388665 -0.224499 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 4) XBONDS=(1 3) BRKXYZ=(9 -0.388475 -0.224917 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(1 12) XBONDS=(1 11) BRKXYZ=(9 0.003419 -0.448846 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
+M  V30 S=LGRP
+M  V30 4 SUP 4 ATOMS=(9 1 2 3 5 7 8 9 10 11) XBONDS=(3 3 5 11) BRKXYZ=(9 0.38-
+M  V30 8475 0.224917 0.000000 -0.388665 0.224499 0.000000 0.000000 0.000000 0-
+M  V30 .000000) BRKXYZ=(9 -0.003419 0.448846 0.000000 0.000000 0.000000 0.000-
+M  V30 000 0.000000 0.000000 0.000000) LABEL=E CLASS=AA SAP=(3 5 6 Al) SAP=(3-
+M  V30  2 4 Br) SAP=(3 11 12 Cx) NATREPLACE=AA/E
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 6 AA/Ile/I/ NATREPLACE=AA/I
+M  V30 BEGIN CTAB
+M  V30 COUNTS 10 9 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C -0.956318 1.27039 0.0 0
+M  V30 2 C 0.0186587 0.708575 0.0 0 CFG=1
+M  V30 3 C 0.0204104 -0.416737 0.0 0 CFG=2
+M  V30 4 N -0.954718 -0.978556 0.0 0
+M  V30 5 H -1.73382 -0.528537 0.0 0
+M  V30 6 C 0.995311 -0.978556 0.0 0
+M  V30 7 O 0.996605 -1.87836 0.0 0
+M  V30 8 O 1.77403 -0.527776 0.0 0
+M  V30 9 C 0.797376 1.15936 0.0 0
+M  V30 10 C -0.957612 2.17013 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 1 3 2 CFG=1
+M  V30 3 1 3 4
+M  V30 4 1 4 5
+M  V30 5 1 3 6
+M  V30 6 2 6 7
+M  V30 7 1 6 8
+M  V30 8 1 2 9 CFG=3
+M  V30 9 1 1 10
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(2 2 3)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 5) XBONDS=(1 4) BRKXYZ=(9 0.389549 -0.225009 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 8) XBONDS=(1 7) BRKXYZ=(9 -0.389358 -0.225390 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(8 1 2 3 4 6 7 9 10) XBONDS=(2 4 7) BRKXYZ=(9 -0.389549 -
+M  V30 0.225009 0.000000 0.389358 0.225390 0.000000 0.000000 0.000000 0.00000-
+M  V30 0) LABEL=I CLASS=AA SAP=(3 4 5 Al) SAP=(3 6 8 Br) NATREPLACE=AA/I
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 7 AA/Thr/T/ NATREPLACE=AA/T
+M  V30 BEGIN CTAB
+M  V30 COUNTS 10 9 4 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 0.819548 -0.981301 0.0 0
+M  V30 2 O 0.819001 -1.90423 0.0 0
+M  V30 3 C -0.179491 -0.402898 0.0 0 CFG=1
+M  V30 4 N -1.17845 -0.981301 0.0 0
+M  V30 5 H -1.97862 -0.52136 0.0 0
+M  V30 6 C -0.178866 0.751252 0.0 0 CFG=2
+M  V30 7 O 0.620756 1.21197 0.0 0
+M  V30 8 C -0.97755 1.21362 0.0 0
+M  V30 9 O 1.61909 -0.5205 0.0 0
+M  V30 10 H 0.614661 2.13467 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 2 1
+M  V30 2 1 3 1
+M  V30 3 1 3 4
+M  V30 4 1 4 5
+M  V30 5 1 3 6 CFG=1
+M  V30 6 1 6 7 CFG=1
+M  V30 7 1 6 8
+M  V30 8 1 1 9
+M  V30 9 1 7 10
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(2 3 6)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 5) XBONDS=(1 4) BRKXYZ=(9 0.400084 -0.229970 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 9) XBONDS=(1 8) BRKXYZ=(9 -0.399772 -0.230400 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(1 10) XBONDS=(1 9) BRKXYZ=(9 0.003048 -0.461347 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS-
+M  V30 =LGRP
+M  V30 4 SUP 4 ATOMS=(7 1 2 3 4 6 7 8) XBONDS=(3 8 4 9) BRKXYZ=(9 0.399772 0.-
+M  V30 230400 0.000000 -0.400084 0.229970 0.000000 0.000000 0.000000 0.000000-
+M  V30 ) BRKXYZ=(9 -0.003048 0.461347 0.000000 0.000000 0.000000 0.000000 0.0-
+M  V30 00000 0.000000 0.000000) LABEL=T CLASS=AA SAP=(3 4 5 Al) SAP=(3 1 9 Br-
+M  V30 ) SAP=(3 7 10 Cx) NATREPLACE=AA/T
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 8 AA/Ala/A/ NATREPLACE=AA/A
+M  V30 BEGIN CTAB
+M  V30 COUNTS 7 6 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 N -0.980533 -0.306295 0.0 0
+M  V30 2 C -0.212531 0.205733 0.0 0 CFG=1
+M  V30 3 C -0.242457 1.35903 0.0 0
+M  V30 4 C 0.822229 -0.306295 0.0 0
+M  V30 5 O 0.846139 -1.22846 0.0 0
+M  V30 6 O 1.59031 0.205733 0.0 0
+M  V30 7 H -1.82323 0.0707134 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 2 1
+M  V30 2 1 2 3 CFG=1
+M  V30 3 1 2 4
+M  V30 4 2 4 5
+M  V30 5 1 4 6
+M  V30 6 1 1 7
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 2)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 7) XBONDS=(1 6) BRKXYZ=(9 0.421350 -0.188504 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 6) XBONDS=(1 5) BRKXYZ=(9 -0.384040 -0.256014 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(5 1 2 3 4 5) XBONDS=(2 6 5) BRKXYZ=(9 -0.421350 0.18850-
+M  V30 4 0.000000 0.384040 0.256014 0.000000 0.000000 0.000000 0.000000) LABE-
+M  V30 L=A CLASS=AA SAP=(3 1 7 Al) SAP=(3 4 6 Br) NATREPLACE=AA/A
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 9 AA/Lys/K/ NATREPLACE=AA/K
+M  V30 BEGIN CTAB
+M  V30 COUNTS 12 11 4 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 2.1478 -2.4874 0.0 0
+M  V30 2 C 0.8474 -1.7382 0.0 0 CFG=2
+M  V30 3 C 0.8451 -0.2373 0.0 0
+M  V30 4 C -0.4553 0.5119 0.0 0
+M  V30 5 C -0.4575 2.0128 0.0 0
+M  V30 6 C -1.7579 2.7619 0.0 0
+M  V30 7 N -1.7602 4.2628 0.0 0
+M  V30 8 N -0.453 -2.4874 0.0 0
+M  V30 9 O 2.1495 -3.6875 0.0 0
+M  V30 10 O 3.1863 -1.8862 0.0 0
+M  V30 11 H -1.4921 -1.8873 0.0 0
+M  V30 12 H -2.8 4.8619 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 9 1
+M  V30 2 1 1 2
+M  V30 3 1 1 10
+M  V30 4 1 2 8
+M  V30 5 1 2 3 CFG=1
+M  V30 6 1 3 4
+M  V30 7 1 4 5
+M  V30 8 1 5 6
+M  V30 9 1 6 7
+M  V30 10 1 8 11
+M  V30 11 1 7 12
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 2)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 11) XBONDS=(1 10) BRKXYZ=(9 0.519550 -0.300050 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
+M  V30 S=LGRP
+M  V30 2 SUP 2 ATOMS=(1 10) XBONDS=(1 3) BRKXYZ=(9 -0.519250 -0.300600 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLA-
+M  V30 SS=LGRP
+M  V30 3 SUP 3 ATOMS=(1 12) XBONDS=(1 11) BRKXYZ=(9 0.519900 -0.299550 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
+M  V30 S=LGRP
+M  V30 4 SUP 4 ATOMS=(9 1 2 3 4 5 6 7 8 9) XBONDS=(3 3 11 10) BRKXYZ=(9 0.519-
+M  V30 250 0.300600 0.000000 -0.519900 0.299550 0.000000 0.000000 0.000000 0.-
+M  V30 000000) BRKXYZ=(9 -0.519550 0.300050 0.000000 0.000000 0.000000 0.0000-
+M  V30 00 0.000000 0.000000 0.000000) LABEL=K CLASS=AA SAP=(3 8 11 Al) SAP=(3-
+M  V30  1 10 Br) SAP=(3 7 12 Cx) NATREPLACE=AA/K
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 10 AA/Arg/R/ NATREPLACE=AA/R
+M  V30 BEGIN CTAB
+M  V30 COUNTS 14 13 4 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.7718 -2.5891 0.0 0
+M  V30 2 O 1.7732 -3.5337 0.0 0
+M  V30 3 C 0.7483 -1.9994 0.0 0 CFG=1
+M  V30 4 N -0.2752 -2.5891 0.0 0
+M  V30 5 H -1.0932 -2.1168 0.0 0
+M  V30 6 C 0.7464 -0.8182 0.0 0
+M  V30 7 C -0.2771 -0.2284 0.0 0
+M  V30 8 C -0.2789 0.9529 0.0 0
+M  V30 9 N -1.3024 1.5426 0.0 0
+M  V30 10 C -1.3042 2.7238 0.0 0
+M  V30 11 N -0.4868 3.1971 0.0 0
+M  V30 12 N -2.1227 3.1955 0.0 0
+M  V30 13 O 2.5892 -2.1159 0.0 0
+M  V30 14 H -0.4883 4.3786 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 2 1
+M  V30 2 1 1 3
+M  V30 3 1 3 4
+M  V30 4 1 4 5
+M  V30 5 1 3 6 CFG=1
+M  V30 6 1 6 7
+M  V30 7 1 7 8
+M  V30 8 1 8 9
+M  V30 9 1 9 10
+M  V30 10 1 10 11
+M  V30 11 2 10 12
+M  V30 12 1 1 13
+M  V30 13 1 11 14
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 3)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 5) XBONDS=(1 4) BRKXYZ=(9 0.409000 -0.236150 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 13) XBONDS=(1 12) BRKXYZ=(9 -0.408700 -0.236600 0.000-
+M  V30 000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CL-
+M  V30 ASS=LGRP
+M  V30 3 SUP 3 ATOMS=(1 14) XBONDS=(1 13) BRKXYZ=(9 0.000750 -0.590750 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
+M  V30 S=LGRP
+M  V30 4 SUP 4 ATOMS=(11 1 2 3 4 6 7 8 9 10 11 12) XBONDS=(3 12 4 13) BRKXYZ=-
+M  V30 (9 0.408700 0.236600 0.000000 -0.409000 0.236150 0.000000 0.000000 0.0-
+M  V30 00000 0.000000) BRKXYZ=(9 -0.000750 0.590750 0.000000 0.000000 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000) LABEL=R CLASS=AA SAP=(3 4 5 Al)-
+M  V30  SAP=(3 1 13 Br) SAP=(3 11 14 Cx) NATREPLACE=AA/R
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 11 AA/Gln/Q/ NATREPLACE=AA/Q
+M  V30 BEGIN CTAB
+M  V30 COUNTS 12 11 4 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.23377 -1.68338 0.0 0
+M  V30 2 O 1.23507 -2.58115 0.0 0
+M  V30 3 C 0.26101 -1.12283 0.0 0 CFG=1
+M  V30 4 N -0.71183 -1.68338 0.0 0
+M  V30 5 H -1.48916 -1.23438 0.0 0
+M  V30 6 C 0.259338 0.0 0.0 0
+M  V30 7 C -0.713426 0.560468 0.0 0
+M  V30 8 C -0.715098 1.68323 0.0 0
+M  V30 9 N 0.0617761 2.13298 0.0 0
+M  V30 10 O -1.49296 2.13139 0.0 0
+M  V30 11 O 2.01072 -1.23362 0.0 0
+M  V30 12 H 0.0607123 3.03067 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 2 1
+M  V30 2 1 1 3
+M  V30 3 1 3 4
+M  V30 4 1 4 5
+M  V30 5 1 3 6 CFG=1
+M  V30 6 1 6 7
+M  V30 7 1 7 8
+M  V30 8 1 8 9
+M  V30 9 2 8 10
+M  V30 10 1 1 11
+M  V30 11 1 9 12
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 3)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 5) XBONDS=(1 4) BRKXYZ=(9 0.388665 -0.224499 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 11) XBONDS=(1 10) BRKXYZ=(9 -0.388475 -0.224879 0.000-
+M  V30 000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CL-
+M  V30 ASS=LGRP
+M  V30 3 SUP 3 ATOMS=(1 12) XBONDS=(1 11) BRKXYZ=(9 0.000532 -0.448845 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
+M  V30 S=LGRP
+M  V30 4 SUP 4 ATOMS=(9 1 2 3 4 6 7 8 9 10) XBONDS=(3 10 4 11) BRKXYZ=(9 0.38-
+M  V30 8475 0.224879 0.000000 -0.388665 0.224499 0.000000 0.000000 0.000000 0-
+M  V30 .000000) BRKXYZ=(9 -0.000532 0.448845 0.000000 0.000000 0.000000 0.000-
+M  V30 000 0.000000 0.000000 0.000000) LABEL=Q CLASS=AA SAP=(3 4 5 Al) SAP=(3-
+M  V30  1 11 Br) SAP=(3 9 12 Cx) NATREPLACE=AA/Q
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 12 AA/Phe/F/ NATREPLACE=AA/F
+M  V30 BEGIN CTAB
+M  V30 COUNTS 13 13 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C -0.2052 2.5398 0.0 0
+M  V30 2 C -1.5064 3.286 0.0 0
+M  V30 3 C -2.8032 2.5322 0.0 0
+M  V30 4 C -2.7988 1.0322 0.0 0
+M  V30 5 C -1.4976 0.2861 0.0 0
+M  V30 6 C -0.2008 1.0398 0.0 0
+M  V30 7 C 1.0995 0.2905 0.0 0
+M  V30 8 C 1.1018 -1.2103 0.0 0 CFG=2
+M  V30 9 N -0.1986 -1.9596 0.0 0
+M  V30 10 C 2.4022 -1.9596 0.0 0
+M  V30 11 O 2.404 -3.1596 0.0 0
+M  V30 12 O 3.4407 -1.3583 0.0 0
+M  V30 13 H -1.2376 -1.3593 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 2 1 6
+M  V30 3 2 2 3
+M  V30 4 1 3 4
+M  V30 5 2 4 5
+M  V30 6 1 5 6
+M  V30 7 1 6 7
+M  V30 8 1 8 7 CFG=1
+M  V30 9 1 8 9
+M  V30 10 1 8 10
+M  V30 11 2 10 11
+M  V30 12 1 10 12
+M  V30 13 1 9 13
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 8)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 13) XBONDS=(1 13) BRKXYZ=(9 0.519500 -0.300150 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
+M  V30 S=LGRP
+M  V30 2 SUP 2 ATOMS=(1 12) XBONDS=(1 12) BRKXYZ=(9 -0.519250 -0.300650 0.000-
+M  V30 000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CL-
+M  V30 ASS=LGRP
+M  V30 3 SUP 3 ATOMS=(11 1 2 3 4 5 6 7 8 9 10 11) XBONDS=(2 13 12) BRKXYZ=(9 -
+M  V30 -0.519500 0.300150 0.000000 0.519250 0.300650 0.000000 0.000000 0.0000-
+M  V30 00 0.000000) LABEL=F CLASS=AA SAP=(3 9 13 Al) SAP=(3 10 12 Br) NATREPL-
+M  V30 ACE=AA/F
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 13 AA/Pro/P/ NATREPLACE=AA/P
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 9 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 0.00128587 1.18264 0.0 0
+M  V30 2 C -1.0572 1.34945 0.0 0
+M  V30 3 C -1.54297 0.394262 0.0 0
+M  V30 4 N -0.784666 -0.36283 0.0 0
+M  V30 5 C 0.169735 0.124372 0.0 0 CFG=2
+M  V30 6 C 1.12278 -0.36283 0.0 0
+M  V30 7 O 1.167 -1.21893 0.0 0
+M  V30 8 O 1.84215 0.103441 0.0 0
+M  V30 9 H -0.918111 -1.20965 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 1 5 1 CFG=1
+M  V30 3 1 2 3
+M  V30 4 1 3 4
+M  V30 5 1 4 5
+M  V30 6 1 5 6
+M  V30 7 2 6 7
+M  V30 8 1 6 8
+M  V30 9 1 4 9
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 5)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 9) XBONDS=(1 9) BRKXYZ=(9 0.066722 0.423408 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=L-
+M  V30 GRP
+M  V30 2 SUP 2 ATOMS=(1 8) XBONDS=(1 8) BRKXYZ=(9 -0.359686 -0.233135 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(7 1 2 3 4 5 6 7) XBONDS=(2 9 8) BRKXYZ=(9 -0.066722 -0.-
+M  V30 423408 0.000000 0.359686 0.233135 0.000000 0.000000 0.000000 0.000000)-
+M  V30  LABEL=P CLASS=AA SAP=(3 4 9 Al) SAP=(3 6 8 Br) NATREPLACE=AA/P
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 14 AA/Gly/G/ NATREPLACE=AA/G
+M  V30 BEGIN CTAB
+M  V30 COUNTS 6 5 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C -0.3363 0.5346 0.0 0
+M  V30 2 C 0.9929 -0.1107 0.0 0
+M  V30 3 O 1.0782 -1.289 0.0 0
+M  V30 4 O 1.9709 0.552 0.0 0
+M  V30 5 N -1.326 -0.1107 0.0 0
+M  V30 6 H -2.3797 0.4238 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 2 2 3
+M  V30 3 1 2 4
+M  V30 4 1 1 5
+M  V30 5 1 5 6
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 6) XBONDS=(1 5) BRKXYZ=(9 0.526850 -0.267250 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 4) XBONDS=(1 3) BRKXYZ=(9 -0.489000 -0.331350 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(4 1 2 3 5) XBONDS=(2 3 5) BRKXYZ=(9 0.489000 0.331350 0-
+M  V30 .000000 -0.526850 0.267250 0.000000 0.000000 0.000000 0.000000) LABEL=-
+M  V30 G CLASS=AA SAP=(3 5 6 Al) SAP=(3 2 4 Br) NATREPLACE=AA/G
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 15 AA/Ser/S/ NATREPLACE=AA/S
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 8 4 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.3671 -1.0829 0.0 0
+M  V30 2 O 1.3689 -2.2643 0.0 0
+M  V30 3 C 0.0869 -0.3452 0.0 0 CFG=1
+M  V30 4 N -1.1934 -1.0829 0.0 0
+M  V30 5 H -2.2165 -0.492 0.0 0
+M  V30 6 C 0.0847 1.1324 0.0 0
+M  V30 7 O -0.9391 1.7222 0.0 0
+M  V30 8 O 2.3896 -0.4909 0.0 0
+M  V30 9 H -0.9481 2.9036 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 2 1
+M  V30 2 1 1 3
+M  V30 3 1 3 4
+M  V30 4 1 4 5
+M  V30 5 1 3 6 CFG=1
+M  V30 6 1 6 7
+M  V30 7 1 1 8
+M  V30 8 1 7 9
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 3)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 5) XBONDS=(1 4) BRKXYZ=(9 0.511550 -0.295450 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 8) XBONDS=(1 7) BRKXYZ=(9 -0.511250 -0.296000 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(1 9) XBONDS=(1 8) BRKXYZ=(9 0.004500 -0.590700 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 4 SUP 4 ATOMS=(6 1 2 3 4 6 7) XBONDS=(3 7 4 8) BRKXYZ=(9 0.511250 0.29-
+M  V30 6000 0.000000 -0.511550 0.295450 0.000000 0.000000 0.000000 0.000000) -
+M  V30 BRKXYZ=(9 -0.004500 0.590700 0.000000 0.000000 0.000000 0.000000 0.000-
+M  V30 000 0.000000 0.000000) LABEL=S CLASS=AA SAP=(3 4 5 Al) SAP=(3 1 8 Br) -
+M  V30 SAP=(3 7 9 Cx) NATREPLACE=AA/S
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 16 AA/Asn/N/ NATREPLACE=AA/N
+M  V30 BEGIN CTAB
+M  V30 COUNTS 11 10 4 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.8929 -1.4175 0.0 0
+M  V30 2 O 1.8947 -2.5989 0.0 0
+M  V30 3 C 0.6127 -0.6799 0.0 0 CFG=1
+M  V30 4 N -0.6676 -1.4175 0.0 0
+M  V30 5 H -1.6907 -0.8266 0.0 0
+M  V30 6 C 0.6104 0.7978 0.0 0
+M  V30 7 C -0.6698 1.5354 0.0 0
+M  V30 8 N -1.6922 0.9434 0.0 0
+M  V30 9 O -0.6716 2.7168 0.0 0
+M  V30 10 O 2.9153 -0.8255 0.0 0
+M  V30 11 H -2.5341 1.7724 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 2 1
+M  V30 2 1 1 3
+M  V30 3 1 3 4
+M  V30 4 1 4 5
+M  V30 5 1 3 6 CFG=1
+M  V30 6 1 6 7
+M  V30 7 1 7 8
+M  V30 8 2 7 9
+M  V30 9 1 1 10
+M  V30 10 1 8 11
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 3)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 5) XBONDS=(1 4) BRKXYZ=(9 0.511550 -0.295450 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 10) XBONDS=(1 9) BRKXYZ=(9 -0.511200 -0.296000 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLA-
+M  V30 SS=LGRP
+M  V30 3 SUP 3 ATOMS=(1 11) XBONDS=(1 10) BRKXYZ=(9 0.420950 -0.414500 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
+M  V30 S=LGRP
+M  V30 4 SUP 4 ATOMS=(8 1 2 3 4 6 7 8 9) XBONDS=(3 9 4 10) BRKXYZ=(9 0.511200-
+M  V30  0.296000 0.000000 -0.511550 0.295450 0.000000 0.000000 0.000000 0.000-
+M  V30 000) BRKXYZ=(9 -0.420950 0.414500 0.000000 0.000000 0.000000 0.000000 -
+M  V30 0.000000 0.000000 0.000000) LABEL=N CLASS=AA SAP=(3 4 5 Al) SAP=(3 1 1-
+M  V30 0 Br) SAP=(3 8 11 Cx) NATREPLACE=AA/N
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 17 LINKER/Test-6-Ch/Test-6-Ch
+M  V30 BEGIN CTAB
+M  V30 COUNTS 22 21 7 0 0
+M  V30 BEGIN ATOM
+M  V30 1 N 12.0838 -6.55002 0.0 0
+M  V30 2 C 11.1373 -6.10322 0.0 0
+M  V30 3 C 10.2767 -6.69892 0.0 0
+M  V30 4 C 9.33033 -6.25222 0.0 0
+M  V30 5 C 8.46973 -6.84782 0.0 0
+M  V30 6 C 7.52333 -6.40112 0.0 0
+M  V30 7 C 6.66272 -6.99682 0.0 0
+M  V30 8 O 5.71622 -6.55002 0.0 0
+M  V30 9 I 12.7718 -6.07362 0.0 0
+M  V30 10 H 5.02822 -7.02642 0.0 0
+M  V30 11 C 7.02332 -5.53512 0.0 0
+M  V30 12 C 7.02332 -4.53512 0.0 0
+M  V30 13 C 6.31622 -3.82801 0.0 0
+M  V30 14 C 6.57502 -2.86211 0.0 0
+M  V30 15 C 5.60912 -2.60321 0.0 0
+M  V30 16 C 5.86792 -1.63731 0.0 0
+M  V30 17 Br 4.86792 -1.63731 0.0 0
+M  V30 18 O 10.2767 -7.69893 0.0 0
+M  V30 19 Cl 7.57503 -2.86211 0.0 0
+M  V30 20 C 8.46973 -7.84783 0.0 0
+M  V30 21 C 7.96973 -8.71393 0.0 0
+M  V30 22 H 7.96973 -9.71393 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 1 2 3
+M  V30 3 1 3 4
+M  V30 4 1 4 5
+M  V30 5 1 5 6
+M  V30 6 1 6 7
+M  V30 7 1 7 8
+M  V30 8 1 1 9
+M  V30 9 1 8 10
+M  V30 10 1 6 11
+M  V30 11 1 11 12
+M  V30 12 1 12 13
+M  V30 13 1 13 14
+M  V30 14 1 14 15
+M  V30 15 1 15 16
+M  V30 16 1 16 17
+M  V30 17 1 3 18
+M  V30 18 1 14 19
+M  V30 19 1 5 20
+M  V30 20 1 20 21
+M  V30 21 1 21 22
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 10) XBONDS=(1 9) BRKXYZ=(9 0.344001 0.238201 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 9) XBONDS=(1 8) BRKXYZ=(9 -0.344001 -0.238201 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=I CLASS-
+M  V30 =LGRP
+M  V30 3 SUP 3 ATOMS=(1 17) XBONDS=(1 16) BRKXYZ=(9 0.500002 0.000000 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=Br CLAS-
+M  V30 S=LGRP
+M  V30 4 SUP 4 ATOMS=(1 19) XBONDS=(1 18) BRKXYZ=(9 -0.500002 0.000000 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=Cl CLA-
+M  V30 SS=LGRP
+M  V30 5 SUP 5 ATOMS=(1 18) XBONDS=(1 17) BRKXYZ=(9 0.000000 0.500002 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 6 SUP 6 ATOMS=(1 22) XBONDS=(1 21) BRKXYZ=(9 0.000000 0.500001 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS-
+M  V30 =LGRP
+M  V30 7 SUP 7 ATOMS=(16 1 2 3 4 5 6 7 8 11 12 13 14 15 16 20 21) XBONDS=(6 8-
+M  V30  17 9 18 16 21) BRKXYZ=(9 0.344001 0.238201 0.000000 0.000000 -0.50000-
+M  V30 2 0.000000 0.000000 0.000000 0.000000) BRKXYZ=(9 -0.344001 -0.238201 0-
+M  V30 .000000 0.500002 0.000000 0.000000 0.000000 0.000000 0.000000) BRKXYZ=-
+M  V30 (9 -0.500002 0.000000 0.000000 0.000000 -0.500001 0.000000 0.000000 0.-
+M  V30 000000 0.000000) LABEL=Test-6-Ch CLASS=LINKER SAP=(3 8 10 Al) SAP=(3 1-
+M  V30  9 Br) SAP=(3 16 17 Cx) SAP=(3 14 19 Dx) SAP=(3 3 18 Ex) SAP=(3 21 22 -
+M  V30 Fx)
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 18 LINKER/PEG2/PEG2
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 8 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 O -2.73557 -0.268865 0.0 0
+M  V30 2 C -1.82369 0.257221 0.0 0
+M  V30 3 C -0.911881 -0.268865 0.0 0
+M  V30 4 O 0.0 0.257221 0.0 0
+M  V30 5 C 0.911881 -0.268865 0.0 0
+M  V30 6 C 1.82376 0.257221 0.0 0
+M  V30 7 O 2.73564 -0.268865 0.0 0
+M  V30 8 H 3.46473 0.151793 0.0 0
+M  V30 9 H -3.46473 0.151793 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 1 2 3
+M  V30 3 1 3 4
+M  V30 4 1 4 5
+M  V30 5 1 5 6
+M  V30 6 1 6 7
+M  V30 7 1 7 8
+M  V30 8 1 1 9
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 9) XBONDS=(1 8) BRKXYZ=(9 0.364577 -0.210329 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 8) XBONDS=(1 7) BRKXYZ=(9 -0.364542 -0.210329 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS-
+M  V30 =LGRP
+M  V30 3 SUP 3 ATOMS=(7 1 2 3 4 5 6 7) XBONDS=(2 8 7) BRKXYZ=(9 -0.364577 0.2-
+M  V30 10329 0.000000 0.364542 0.210329 0.000000 0.000000 0.000000 0.000000) -
+M  V30 LABEL=PEG2 CLASS=LINKER SAP=(3 1 9 Al) SAP=(3 7 8 Br)
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 19 AA/DALys/DALys/ NATREPLACE=AA/K
+M  V30 BEGIN CTAB
+M  V30 COUNTS 10 9 2 0 0
+M  V30 BEGIN ATOM
+M  V30 1 N 0.000466524 0.000266585 0.0 0
+M  V30 2 C 0.866401 0.499847 0.0 0
+M  V30 3 C 1.7328 0.0 0.0 0
+M  V30 4 C 2.5992 0.499847 0.0 0
+M  V30 5 C 3.46561 0.0 0.0 0
+M  V30 6 C 4.33201 0.499847 0.0 0
+M  V30 7 O 4.33201 1.49954 0.0 0
+M  V30 8 C 5.19834 0.0 0.0 0
+M  V30 9 O 5.19834 -0.999694 0.0 0
+M  V30 10 O 6.06428 0.49958 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 1 2 3
+M  V30 3 1 3 4
+M  V30 4 1 4 5
+M  V30 5 1 5 6
+M  V30 6 1 6 7
+M  V30 7 1 6 8
+M  V30 8 1 8 9
+M  V30 9 2 8 10
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 7) XBONDS=(1 6) BRKXYZ=(9 0.000000 -0.499847 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLASS-
+M  V30 =LGRP
+M  V30 2 SUP 2 ATOMS=(9 1 2 3 4 5 6 8 9 10) XBONDS=(1 6) BRKXYZ=(9 0.000000 0-
+M  V30 .499847 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000-
+M  V30 ) LABEL=DALys CLASS=AA SAP=(3 6 7 Br) NATREPLACE=AA/K
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 20 AA/DAPhe/DAPhe/ NATREPLACE=AA/F
+M  V30 BEGIN CTAB
+M  V30 COUNTS 12 12 2 0 0
+M  V30 BEGIN ATOM
+M  V30 1 O 0.230034 -1.13577 0.0 0
+M  V30 2 C 1.22989 -1.13577 0.0 0
+M  V30 3 O 1.72955 -0.269695 0.0 0
+M  V30 4 C 1.72982 -2.00231 0.0 0
+M  V30 5 O 2.72968 -2.00231 0.0 0
+M  V30 6 C 1.22989 -2.86886 0.0 0
+M  V30 7 C 1.72982 -3.7354 0.0 0
+M  V30 8 C 1.23142 -4.60214 0.0 0
+M  V30 9 C 1.73288 -5.46722 0.0 0
+M  V30 10 C 2.73274 -5.46548 0.0 0
+M  V30 11 C 3.23114 -4.59867 0.0 0
+M  V30 12 C 2.72968 -3.73366 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 2 2 3
+M  V30 3 1 2 4
+M  V30 4 1 4 5
+M  V30 5 1 4 6
+M  V30 6 1 6 7
+M  V30 7 2 7 8
+M  V30 8 1 8 9
+M  V30 9 2 9 10
+M  V30 10 1 10 11
+M  V30 11 2 11 12
+M  V30 12 1 7 12
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 5) XBONDS=(1 4) BRKXYZ=(9 -0.499928 0.000000 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLASS-
+M  V30 =LGRP
+M  V30 2 SUP 2 ATOMS=(11 1 2 3 4 6 7 8 9 10 11 12) XBONDS=(1 4) BRKXYZ=(9 0.4-
+M  V30 99928 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0-
+M  V30 .000000) LABEL=DAPhe CLASS=AA SAP=(3 4 5 Br) NATREPLACE=AA/F
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 END TEMPLATE
+M  END
diff --git a/Code/GraphMol/FileParsers/test_data/macromols/PepTla.mol b/Code/GraphMol/FileParsers/test_data/macromols/PepTla.mol
new file mode 100644
index 000000000..b8b004883
--- /dev/null
+++ b/Code/GraphMol/FileParsers/test_data/macromols/PepTla.mol
@@ -0,0 +1,171 @@
+
+  -INDIGO-01202515452D
+
+  0  0  0  0  0  0  0  0  0  0  0 V3000
+M  V30 BEGIN CTAB
+M  V30 COUNTS 4 3 0 0 0
+M  V30 BEGIN ATOM
+M  V30 1 Ala 5.75 -1.25 0.0 0 CLASS=AA SEQID=4 ATTCHORD=(2 4 Al)
+M  V30 2 Cys 1.25 -1.25 0.0 0 CLASS=AA SEQID=1 ATTCHORD=(2 3 Br)
+M  V30 3 Gly 2.75 -1.25 0.0 0 CLASS=AA SEQID=2 ATTCHORD=(4 2 Al 4 Br)
+M  V30 4 Leu 4.25 -1.25 0.0 0 CLASS=AA SEQID=3 ATTCHORD=(4 3 Al 1 Br)
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 2 3
+M  V30 2 1 3 4
+M  V30 3 1 4 1
+M  V30 END BOND
+M  V30 END CTAB
+M  V30 BEGIN TEMPLATE
+M  V30 TEMPLATE 1 AA/Ala/A/ NATREPLACE=AA/A
+M  V30 BEGIN CTAB
+M  V30 COUNTS 7 6 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 N -1.2549 -0.392 0.0 0
+M  V30 2 C -0.272 0.2633 0.0 0 CFG=1
+M  V30 3 C -0.3103 1.7393 0.0 0
+M  V30 4 C 1.0523 -0.392 0.0 0
+M  V30 5 O 1.0829 -1.5722 0.0 0
+M  V30 6 O 2.0353 0.2633 0.0 0
+M  V30 7 H -2.3334 0.0905 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 2 1
+M  V30 2 1 2 3 CFG=1
+M  V30 3 1 2 4
+M  V30 4 2 4 5
+M  V30 5 1 4 6
+M  V30 6 1 1 7
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 2)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 7) XBONDS=(1 6) BRKXYZ=(9 0.539250 -0.241250 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 6) XBONDS=(1 5) BRKXYZ=(9 -0.491500 -0.327650 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(5 1 2 3 4 5) XBONDS=(2 6 5) BRKXYZ=(9 -0.539250 0.24125-
+M  V30 0 0.000000 0.491500 0.327650 0.000000 0.000000 0.000000 0.000000) LABE-
+M  V30 L=A CLASS=AA SAP=(3 1 7 Al) SAP=(3 4 6 Br) NATREPLACE=AA/A
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 2 AA/Cys/C/ NATREPLACE=AA/C
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 8 4 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.4457 -1.1333 0.0 0
+M  V30 2 C 0.1453 -0.384 0.0 0 CFG=2
+M  V30 3 C 0.143 1.1168 0.0 0
+M  V30 4 S -1.1573 1.8661 0.0 0
+M  V30 5 N -1.1551 -1.1333 0.0 0
+M  V30 6 O 1.4475 -2.3333 0.0 0
+M  V30 7 O 2.4842 -0.532 0.0 0
+M  V30 8 H -2.1942 -0.5331 0.0 0
+M  V30 9 H -1.1591 3.0661 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 6 1
+M  V30 2 1 1 2
+M  V30 3 1 1 7
+M  V30 4 1 2 5
+M  V30 5 1 2 3 CFG=1
+M  V30 6 1 3 4
+M  V30 7 1 5 8
+M  V30 8 1 4 9
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 2)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 8) XBONDS=(1 7) BRKXYZ=(9 0.519550 -0.300100 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 7) XBONDS=(1 3) BRKXYZ=(9 -0.519250 -0.300650 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(1 9) XBONDS=(1 8) BRKXYZ=(9 0.000900 -0.600000 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 4 SUP 4 ATOMS=(6 1 2 3 4 5 6) XBONDS=(3 3 8 7) BRKXYZ=(9 0.519250 0.30-
+M  V30 0650 0.000000 -0.000900 0.600000 0.000000 0.000000 0.000000 0.000000) -
+M  V30 BRKXYZ=(9 -0.519550 0.300100 0.000000 0.000000 0.000000 0.000000 0.000-
+M  V30 000 0.000000 0.000000) LABEL=C CLASS=AA SAP=(3 5 8 Al) SAP=(3 1 7 Br) -
+M  V30 SAP=(3 4 9 Cx) NATREPLACE=AA/C
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 3 AA/Gly/G/ NATREPLACE=AA/G
+M  V30 BEGIN CTAB
+M  V30 COUNTS 6 5 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C -0.3363 0.5346 0.0 0
+M  V30 2 C 0.9929 -0.1107 0.0 0
+M  V30 3 O 1.0782 -1.289 0.0 0
+M  V30 4 O 1.9709 0.552 0.0 0
+M  V30 5 N -1.326 -0.1107 0.0 0
+M  V30 6 H -2.3797 0.4238 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 2 2 3
+M  V30 3 1 2 4
+M  V30 4 1 1 5
+M  V30 5 1 5 6
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 6) XBONDS=(1 5) BRKXYZ=(9 0.526850 -0.267250 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 4) XBONDS=(1 3) BRKXYZ=(9 -0.489000 -0.331350 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(4 1 2 3 5) XBONDS=(2 3 5) BRKXYZ=(9 0.489000 0.331350 0-
+M  V30 .000000 -0.526850 0.267250 0.000000 0.000000 0.000000 0.000000) LABEL=-
+M  V30 G CLASS=AA SAP=(3 5 6 Al) SAP=(3 2 4 Br) NATREPLACE=AA/G
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 4 AA/Leu/L/ NATREPLACE=AA/L
+M  V30 BEGIN CTAB
+M  V30 COUNTS 10 9 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 0.3626 0.9903 0.0 0
+M  V30 2 C -0.9395 2.9396 0.0 0
+M  V30 3 C -0.9377 1.7396 0.0 0
+M  V30 4 C -1.9763 1.1383 0.0 0
+M  V30 5 C 0.3649 -0.5105 0.0 0 CFG=1
+M  V30 6 C 1.6653 -1.2598 0.0 0
+M  V30 7 O 1.6671 -2.4598 0.0 0
+M  V30 8 N -0.9355 -1.2598 0.0 0
+M  V30 9 O 2.7038 -0.6585 0.0 0
+M  V30 10 H -1.9746 -0.6596 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 3 1
+M  V30 2 1 5 1 CFG=1
+M  V30 3 1 3 2
+M  V30 4 1 3 4
+M  V30 5 1 5 8
+M  V30 6 1 5 6
+M  V30 7 2 6 7
+M  V30 8 1 6 9
+M  V30 9 1 8 10
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 5)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 10) XBONDS=(1 9) BRKXYZ=(9 0.519550 -0.300100 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS-
+M  V30 =LGRP
+M  V30 2 SUP 2 ATOMS=(1 9) XBONDS=(1 8) BRKXYZ=(9 -0.519250 -0.300650 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(8 1 2 3 4 5 6 7 8) XBONDS=(2 8 9) BRKXYZ=(9 0.519250 0.-
+M  V30 300650 0.000000 -0.519550 0.300100 0.000000 0.000000 0.000000 0.000000-
+M  V30 ) LABEL=L CLASS=AA SAP=(3 8 10 Al) SAP=(3 6 9 Br) NATREPLACE=AA/L
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 END TEMPLATE
+M  END
diff --git a/Code/GraphMol/FileParsers/test_data/macromols/SgroupFoundTwice.mol b/Code/GraphMol/FileParsers/test_data/macromols/SgroupFoundTwice.mol
new file mode 100644
index 000000000..db6bf8b49
--- /dev/null
+++ b/Code/GraphMol/FileParsers/test_data/macromols/SgroupFoundTwice.mol
@@ -0,0 +1,134 @@
+1 A G meS A G
+ACCLDraw03281611052D
+
+  0  0  0     0  0            999 V3000
+M  V30 BEGIN CTAB
+M  V30 COUNTS 5 4 1 0 1
+M  V30 BEGIN ATOM
+M  V30 1 Ala 1.5563 -9.2328 0 0 CLASS=AA ATTCHORD=(2 2 Br) SEQID=1
+M  V30 2 Gly 2.7137 -9.23 0 0 CLASS=AA ATTCHORD=(4 3 Br 1 Al) SEQID=2
+M  V30 3 meS 3.8712 -9.23 0 0 CLASS=AA ATTCHORD=(4 4 Br 2 Al) SEQID=3
+M  V30 4 Ala 5.4539 -9.23 0 0 CLASS=AA ATTCHORD=(4 3 Al 5 Br) SEQID=4
+M  V30 5 Gly 6.6114 -9.23 0 0 CLASS=AA ATTCHORD=(2 4 Al) SEQID=5
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 2 1
+M  V30 2 1 3 2
+M  V30 3 1 4 3
+M  V30 4 1 5 4
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 DAT 1 ATOMS=(1 1) FIELDNAME="SMMX:sequence position data" -
+M  V30 FIELDDISP=" 1.5563 -9.2328 DA ALL 1 "
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 BEGIN TEMPLATE
+M  V30 TEMPLATE 1 AA/Ala/A/
+M  V30 BEGIN CTAB
+M  V30 COUNTS 7 6 3 0 1
+M  V30 BEGIN ATOM
+M  V30 1 O 6.6266 -2.0662 0 0
+M  V30 2 H 5.0016 -2.0876 0 0
+M  V30 3 N 5.1358 -2.0784 0 0 CFG=3
+M  V30 4 C 5.7844 -1.5983 0 0 CFG=2
+M  V30 5 C 6.4753 -2.0653 0 0
+M  V30 6 O 6.4753 -2.8977 0 0
+M  V30 7 C 5.7844 -0.7662 0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 3 4
+M  V30 2 1 4 5
+M  V30 3 2 5 6
+M  V30 4 1 4 7 CFG=1
+M  V30 5 1 3 2
+M  V30 6 1 5 1
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 1) XBONDS=(1 6) BRKXYZ=(9 7.02 -2.26 0 7.02 -1.85 0 -
+M  V30 0 0 0) CSTATE=(4 6 -0.82 -0.01 0) LABEL=OH CLASS=LGRP
+M  V30 2 SUP 2 ATOMS=(1 2) XBONDS=(1 5) BRKXYZ=(9 4.58 -1.87 0 4.6 -2.28 0 -
+M  V30 0 0 0) CSTATE=(4 5 0.8 0.02 0) LABEL=H CLASS=LGRP
+M  V30 3 SUP 3 ATOMS=(5 3 4 5 6 7) XBONDS=(2 5 6) BRKXYZ=(9 3.95 -3.33 0 3.95 -
+M  V30 -0.38 0 0 0 0) CSTATE=(4 5 -0.8 -0.02 0) CSTATE=(4 6 0.82 0.01 -
+M  V30 0) LABEL=A CLASS=AA SAP=(3 3 2 Al) SAP=(3 5 1 Br)
+M  V30 END SGROUP
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 4)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 1) XBONDS=(1 6) BRKXYZ=(9 7.02 -2.26 0 7.02 -1.85 0 -
+M  V30 0 0 0) CSTATE=(4 6 -0.82 -0.01 0) LABEL=OH CLASS=LGRP
+M  V30 2 SUP 2 ATOMS=(1 2) XBONDS=(1 5) BRKXYZ=(9 4.58 -1.87 0 4.6 -2.28 0 -
+M  V30 0 0 0) CSTATE=(4 5 0.8 0.02 0) LABEL=H CLASS=LGRP
+M  V30 3 SUP 3 ATOMS=(5 3 4 5 6 7) XBONDS=(2 5 6) BRKXYZ=(9 3.95 -3.33 0 3.95 -
+M  V30 -0.38 0 0 0 0) CSTATE=(4 5 -0.8 -0.02 0) CSTATE=(4 6 0.82 0.01 -
+M  V30 0) LABEL=A CLASS=AA SAP=(3 3 2 Al) SAP=(3 5 1 Br)
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 2 AA/Gly/G/
+M  V30 BEGIN CTAB
+M  V30 COUNTS 6 5 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 N 3.676 -12.5274 0 0 CFG=3
+M  V30 2 C 4.2675 -12.095 0 0
+M  V30 3 O 4.8932 -13.2691 0 0
+M  V30 4 C 4.8904 -12.5161 0 0
+M  V30 5 O 5.1042 -12.5167 0 0
+M  V30 6 H 3.4542 -12.5125 0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 1 2 4
+M  V30 3 2 4 3
+M  V30 4 1 4 5
+M  V30 5 1 1 6
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 5) XBONDS=(1 4) CSTATE=(4 4 -0.82 -0.01 0) LABEL=OH -
+M  V30 CLASS=LGRP
+M  V30 2 SUP 2 ATOMS=(4 1 2 3 4) XBONDS=(2 4 5) CSTATE=(4 4 0.82 0.01 0) -
+M  V30 CSTATE=(4 5 -0.83 0.01 0) LABEL=G CLASS=AA SAP=(3 4 5 Br) -
+M  V30 SAP=(3 1 6 Al)
+M  V30 3 SUP 3 ATOMS=(1 6) XBONDS=(1 5) CSTATE=(4 5 0.83 -0.01 0) LABEL=H -
+M  V30 CLASS=LGRP
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 3 AA/meS/meS/ NATREPLACE=AA/S
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 8 3 0 1
+M  V30 BEGIN ATOM
+M  V30 1 C 9.9525 -5.6641 0 0
+M  V30 2 O 9.9451 -6.8641 0 0
+M  V30 3 N 7.3518 -5.6442 0 0 CFG=3
+M  V30 4 C 8.6579 -4.9049 0 0 CFG=1
+M  V30 5 C 8.6671 -3.4041 0 0
+M  V30 6 O 7.6319 -2.7971 0 0
+M  V30 7 C 6.3173 -5.0361 0 0
+M  V30 8 O 10.8217 -5.1697 0 0
+M  V30 9 H 7.3436 -6.6442 0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 2 1
+M  V30 2 1 1 4
+M  V30 3 1 4 3
+M  V30 4 1 4 5 CFG=1
+M  V30 5 1 5 6
+M  V30 6 1 3 7
+M  V30 7 1 1 8
+M  V30 8 1 3 9
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(7 1 2 3 4 5 6 7) XBONDS=(2 7 8) CSTATE=(4 7 2.17 0.48 -
+M  V30 0) CSTATE=(4 8 -1.31 -0.99 0) LABEL=meS CLASS=AA SAP=(3 1 8 Br) -
+M  V30 SAP=(3 3 9 Al) NATREPLACE=AA/S
+M  V30 2 SUP 2 ATOMS=(1 8) XBONDS=(1 7) CSTATE=(4 7 -2.17 -0.48 0) LABEL=OH -
+M  V30 CLASS=LGRP
+M  V30 3 SUP 3 ATOMS=(1 9) XBONDS=(1 8) CSTATE=(4 8 1.31 0.99 0) LABEL=H -
+M  V30 CLASS=LGRP
+M  V30 END SGROUP
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 4)
+M  V30 END COLLECTION
+M  V30 END CTAB
+M  V30 END TEMPLATE
+M  END
diff --git a/Code/GraphMol/FileParsers/test_data/macromols/TestRNA2.mol b/Code/GraphMol/FileParsers/test_data/macromols/TestRNA2.mol
new file mode 100644
index 000000000..26f0b0a6c
--- /dev/null
+++ b/Code/GraphMol/FileParsers/test_data/macromols/TestRNA2.mol
@@ -0,0 +1,232 @@
+
+  -INDIGO-01112511292D
+
+  0  0  0  0  0  0  0  0  0  0  0 V3000
+M  V30 BEGIN CTAB
+M  V30 COUNTS 15 14 0 0 0
+M  V30 BEGIN ATOM
+M  V30 1 A 1.25 -2.75 0.0 0 CLASS=BASE SEQID=1 ATTCHORD=(2 2 Al)
+M  V30 2 R 1.25 -1.25 0.0 0 CLASS=SUGAR SEQID=1 ATTCHORD=(4 1 Cx 5 Br)
+M  V30 3 P 14.75 -1.25 0.0 0 CLASS=PHOSPHATE SEQID=5 ATTCHORD=(2 15 Al)
+M  V30 4 U 2.75 -2.75 0.0 0 CLASS=BASE SEQID=1 ATTCHORD=(2 5 Al)
+M  V30 5 R 2.75 -1.25 0.0 0 CLASS=SUGAR SEQID=1 ATTCHORD=(6 4 Cx 6 Br 2 Al)
+M  V30 6 P 4.25 -1.25 0.0 0 CLASS=PHOSPHATE SEQID=1 ATTCHORD=(4 5 Al 8 Br)
+M  V30 7 C 5.75 -2.75 0.0 0 CLASS=BASE SEQID=2 ATTCHORD=(2 8 Al)
+M  V30 8 R 5.75 -1.25 0.0 0 CLASS=SUGAR SEQID=2 ATTCHORD=(6 7 Cx 9 Br 6 Al)
+M  V30 9 P 7.25 -1.25 0.0 0 CLASS=PHOSPHATE SEQID=2 ATTCHORD=(4 8 Al 11 Br)
+M  V30 10 A 8.75 -2.75 0.0 0 CLASS=BASE SEQID=3 ATTCHORD=(2 11 Al)
+M  V30 11 R 8.75 -1.25 0.0 0 CLASS=SUGAR SEQID=3 ATTCHORD=(6 10 Cx 12 Br 9 Al-
+M  V30 )
+M  V30 12 P 10.25 -1.25 0.0 0 CLASS=PHOSPHATE SEQID=3 ATTCHORD=(4 11 Al 14 Br-
+M  V30 )
+M  V30 13 U 11.75 -2.75 0.0 0 CLASS=BASE SEQID=4 ATTCHORD=(2 14 Al)
+M  V30 14 R 11.75 -1.25 0.0 0 CLASS=SUGAR SEQID=4 ATTCHORD=(6 13 Cx 15 Br 12 -
+M  V30 Al)
+M  V30 15 P 13.25 -1.25 0.0 0 CLASS=PHOSPHATE SEQID=4 ATTCHORD=(4 14 Al 3 Br)
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 1 4 5
+M  V30 3 1 5 6
+M  V30 4 1 2 5
+M  V30 5 1 7 8
+M  V30 6 1 8 9
+M  V30 7 1 6 8
+M  V30 8 1 10 11
+M  V30 9 1 11 12
+M  V30 10 1 9 11
+M  V30 11 1 13 14
+M  V30 12 1 14 15
+M  V30 13 1 12 14
+M  V30 14 1 15 3
+M  V30 END BOND
+M  V30 END CTAB
+M  V30 BEGIN TEMPLATE
+M  V30 TEMPLATE 1 BASE/Ade/A NATREPLACE=BASE/A
+M  V30 BEGIN CTAB
+M  V30 COUNTS 11 12 2 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.0354 0.2498 0.0 0
+M  V30 2 C -0.0792 -0.754 0.0 0
+M  V30 3 C -1.5057 -0.2906 0.0 0
+M  V30 4 N -1.8177 1.1766 0.0 0
+M  V30 5 C -0.7031 2.1804 0.0 0
+M  V30 6 N 0.7235 1.717 0.0 0
+M  V30 7 N -2.3871 -1.5034 0.0 0
+M  V30 8 C -1.5053 -2.7168 0.0 0
+M  V30 9 N -0.0787 -2.2532 0.0 0
+M  V30 10 N 2.1768 -0.1209 0.0 0
+M  V30 11 H -3.5871 -1.5034 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 10
+M  V30 2 2 1 6
+M  V30 3 1 1 2
+M  V30 4 1 9 2
+M  V30 5 2 2 3
+M  V30 6 1 7 3
+M  V30 7 1 3 4
+M  V30 8 2 4 5
+M  V30 9 1 5 6
+M  V30 10 1 7 8
+M  V30 11 1 7 11
+M  V30 12 2 8 9
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 11) XBONDS=(1 11) BRKXYZ=(9 0.600000 0.000000 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS-
+M  V30 =LGRP
+M  V30 2 SUP 2 ATOMS=(10 1 2 3 4 5 6 7 8 9 10) XBONDS=(1 11) BRKXYZ=(9 -0.600-
+M  V30 000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.0-
+M  V30 00000) LABEL=A CLASS=BASE SAP=(3 7 11 Al) NATREPLACE=BASE/A
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 2 SUGAR/Rib/R NATREPLACE=SUGAR/R
+M  V30 BEGIN CTAB
+M  V30 COUNTS 12 12 4 0 0
+M  V30 BEGIN ATOM
+M  V30 1 O -1.1017 -1.0663 0.0 0
+M  V30 2 C -0.5897 0.3436 0.0 0 CFG=1
+M  V30 3 C 0.0809 -1.9889 0.0 0 CFG=2
+M  V30 4 C 0.9095 0.2924 0.0 0 CFG=2
+M  V30 5 C 1.3239 -1.1493 0.0 0 CFG=1
+M  V30 6 O 1.8285 1.4755 0.0 0
+M  V30 7 O 2.4518 -1.5589 0.0 0
+M  V30 8 C -1.431 1.5834 0.0 0
+M  V30 9 O 0.0399 -3.1881 0.0 0
+M  V30 10 O -2.9279 1.4755 0.0 0
+M  V30 11 H -3.6017 2.4684 0.0 0
+M  V30 12 H 3.0174 1.3125 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 1 1 3
+M  V30 3 1 2 4
+M  V30 4 1 2 8 CFG=3
+M  V30 5 1 3 5
+M  V30 6 1 3 9 CFG=3
+M  V30 7 1 4 5
+M  V30 8 1 4 6 CFG=1
+M  V30 9 1 5 7 CFG=1
+M  V30 10 1 6 12
+M  V30 11 1 8 10
+M  V30 12 1 10 11
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(4 2 3 4 5)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 11) XBONDS=(1 12) BRKXYZ=(9 0.336900 -0.496450 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
+M  V30 S=LGRP
+M  V30 2 SUP 2 ATOMS=(1 12) XBONDS=(1 10) BRKXYZ=(9 -0.594450 0.081500 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(1 9) XBONDS=(1 6) BRKXYZ=(9 0.020500 0.599600 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLASS=-
+M  V30 LGRP
+M  V30 4 SUP 4 ATOMS=(9 1 2 3 4 5 6 7 8 10) XBONDS=(3 6 10 12) BRKXYZ=(9 -0.0-
+M  V30 20500 -0.599600 0.000000 0.594450 -0.081500 0.000000 0.000000 0.000000-
+M  V30  0.000000) BRKXYZ=(9 -0.336900 0.496450 0.000000 0.000000 0.000000 0.0-
+M  V30 00000 0.000000 0.000000 0.000000) LABEL=R CLASS=SUGAR SAP=(3 10 11 Al)-
+M  V30  SAP=(3 6 12 Br) SAP=(3 3 9 Cx) NATREPLACE=SUGAR/R
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 3 PHOSPHATE/P/P NATREPLACE=PHOSPHATE/P
+M  V30 BEGIN CTAB
+M  V30 COUNTS 5 4 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 P -0.2399 0.0 0.0 0
+M  V30 2 O -1.4399 0.0 0.0 0
+M  V30 3 O 0.3598 -1.0394 0.0 0
+M  V30 4 O 0.9601 0.0 0.0 0
+M  V30 5 O 0.3598 1.0394 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 2 1 3
+M  V30 3 1 1 4
+M  V30 4 1 1 5
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 2) XBONDS=(1 1) BRKXYZ=(9 0.600000 0.000000 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 4) XBONDS=(1 3) BRKXYZ=(9 -0.600000 0.000000 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLASS-
+M  V30 =LGRP
+M  V30 3 SUP 3 ATOMS=(3 1 3 5) XBONDS=(2 1 3) BRKXYZ=(9 -0.600000 0.000000 0.-
+M  V30 000000 0.600000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=P -
+M  V30 CLASS=PHOSPHATE SAP=(3 1 2 Al) SAP=(3 1 4 Br) NATREPLACE=PHOSPHATE/P
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 4 BASE/Ura/U NATREPLACE=BASE/U
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 9 2 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.8617 1.3499 0.0 0
+M  V30 2 C 1.1117 0.0509 0.0 0
+M  V30 3 C -0.3883 0.0509 0.0 0
+M  V30 4 N -1.1382 1.35 0.0 0
+M  V30 5 C -0.3882 2.649 0.0 0
+M  V30 6 N 1.1117 2.6489 0.0 0
+M  V30 7 O 3.0618 1.3499 0.0 0
+M  V30 8 O -0.9882 3.6882 0.0 0
+M  V30 9 H -2.3383 1.35 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 1 7
+M  V30 2 1 1 6
+M  V30 3 1 1 2
+M  V30 4 2 2 3
+M  V30 5 1 3 4
+M  V30 6 1 4 5
+M  V30 7 1 4 9
+M  V30 8 2 5 8
+M  V30 9 1 5 6
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 9) XBONDS=(1 7) BRKXYZ=(9 0.600050 0.000000 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=L-
+M  V30 GRP
+M  V30 2 SUP 2 ATOMS=(8 1 2 3 4 5 6 7 8) XBONDS=(1 7) BRKXYZ=(9 -0.600050 0.0-
+M  V30 00000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) -
+M  V30 LABEL=U CLASS=BASE SAP=(3 4 9 Al) NATREPLACE=BASE/U
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 5 BASE/Cyt/C NATREPLACE=BASE/C
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 9 2 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.8617 1.3499 0.0 0
+M  V30 2 C 1.1117 2.6489 0.0 0
+M  V30 3 C -0.3882 2.649 0.0 0
+M  V30 4 N -1.1382 1.35 0.0 0
+M  V30 5 C -0.3883 0.0509 0.0 0
+M  V30 6 N 1.1117 0.0509 0.0 0
+M  V30 7 N 3.0618 1.3499 0.0 0
+M  V30 8 O -0.9884 -0.9883 0.0 0
+M  V30 9 H -2.3383 1.35 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 2 1 6
+M  V30 3 1 1 7
+M  V30 4 2 2 3
+M  V30 5 1 3 4
+M  V30 6 1 4 5
+M  V30 7 1 4 9
+M  V30 8 1 5 6
+M  V30 9 2 5 8
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 9) XBONDS=(1 7) BRKXYZ=(9 0.600050 0.000000 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=L-
+M  V30 GRP
+M  V30 2 SUP 2 ATOMS=(8 1 2 3 4 5 6 7 8) XBONDS=(1 7) BRKXYZ=(9 -0.600050 0.0-
+M  V30 00000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) -
+M  V30 LABEL=C CLASS=BASE SAP=(3 4 9 Al) NATREPLACE=BASE/C
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 END TEMPLATE
+M  END
diff --git a/Code/GraphMol/FileParsers/test_data/macromols/TestRNA2_fixed.mol b/Code/GraphMol/FileParsers/test_data/macromols/TestRNA2_fixed.mol
new file mode 100644
index 000000000..a70c1b193
--- /dev/null
+++ b/Code/GraphMol/FileParsers/test_data/macromols/TestRNA2_fixed.mol
@@ -0,0 +1,232 @@
+
+  -INDIGO-01112511292D
+
+  0  0  0  0  0  0  0  0  0  0  0 V3000
+M  V30 BEGIN CTAB
+M  V30 COUNTS 15 14 0 0 0
+M  V30 BEGIN ATOM
+M  V30 1 A 1.25 -2.75 0.0 0 CLASS=BASE SEQID=1 ATTCHORD=(2 2 Al)
+M  V30 2 R 1.25 -1.25 0.0 0 CLASS=SUGAR SEQID=1 ATTCHORD=(4 1 Cx 5 Br)
+M  V30 3 P 14.75 -1.25 0.0 0 CLASS=PHOSPHATE SEQID=1 ATTCHORD=(2 15 Al)
+M  V30 4 U 2.75 -2.75 0.0 0 CLASS=BASE SEQID=2 ATTCHORD=(2 5 Al)
+M  V30 5 R 2.75 -1.25 0.0 0 CLASS=SUGAR SEQID=2 ATTCHORD=(6 4 Cx 6 Br 2 Al)
+M  V30 6 P 4.25 -1.25 0.0 0 CLASS=PHOSPHATE SEQID=2 ATTCHORD=(4 5 Al 8 Br)
+M  V30 7 C 5.75 -2.75 0.0 0 CLASS=BASE SEQID=3 ATTCHORD=(2 8 Al)
+M  V30 8 R 5.75 -1.25 0.0 0 CLASS=SUGAR SEQID=3 ATTCHORD=(6 7 Cx 9 Br 6 Al)
+M  V30 9 P 7.25 -1.25 0.0 0 CLASS=PHOSPHATE SEQID=3 ATTCHORD=(4 8 Al 11 Br)
+M  V30 10 A 8.75 -2.75 0.0 0 CLASS=BASE SEQID=4 ATTCHORD=(2 11 Al)
+M  V30 11 R 8.75 -1.25 0.0 0 CLASS=SUGAR SEQID=4 ATTCHORD=(6 10 Cx 12 Br 9 Al-
+M  V30 )
+M  V30 12 P 10.25 -1.25 0.0 0 CLASS=PHOSPHATE SEQID=4 ATTCHORD=(4 11 Al 14 Br-
+M  V30 )
+M  V30 13 U 11.75 -2.75 0.0 0 CLASS=BASE SEQID=5 ATTCHORD=(2 14 Al)
+M  V30 14 R 11.75 -1.25 0.0 0 CLASS=SUGAR SEQID=5 ATTCHORD=(6 13 Cx 15 Br 12 -
+M  V30 Al)
+M  V30 15 P 13.25 -1.25 0.0 0 CLASS=PHOSPHATE SEQID=5 ATTCHORD=(4 14 Al 3 Br)
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 1 4 5
+M  V30 3 1 5 6
+M  V30 4 1 2 5
+M  V30 5 1 7 8
+M  V30 6 1 8 9
+M  V30 7 1 6 8
+M  V30 8 1 10 11
+M  V30 9 1 11 12
+M  V30 10 1 9 11
+M  V30 11 1 13 14
+M  V30 12 1 14 15
+M  V30 13 1 12 14
+M  V30 14 1 15 3
+M  V30 END BOND
+M  V30 END CTAB
+M  V30 BEGIN TEMPLATE
+M  V30 TEMPLATE 1 BASE/Ade/A NATREPLACE=BASE/A
+M  V30 BEGIN CTAB
+M  V30 COUNTS 11 12 2 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.0354 0.2498 0.0 0
+M  V30 2 C -0.0792 -0.754 0.0 0
+M  V30 3 C -1.5057 -0.2906 0.0 0
+M  V30 4 N -1.8177 1.1766 0.0 0
+M  V30 5 C -0.7031 2.1804 0.0 0
+M  V30 6 N 0.7235 1.717 0.0 0
+M  V30 7 N -2.3871 -1.5034 0.0 0
+M  V30 8 C -1.5053 -2.7168 0.0 0
+M  V30 9 N -0.0787 -2.2532 0.0 0
+M  V30 10 N 2.1768 -0.1209 0.0 0
+M  V30 11 H -3.5871 -1.5034 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 10
+M  V30 2 2 1 6
+M  V30 3 1 1 2
+M  V30 4 1 9 2
+M  V30 5 2 2 3
+M  V30 6 1 7 3
+M  V30 7 1 3 4
+M  V30 8 2 4 5
+M  V30 9 1 5 6
+M  V30 10 1 7 8
+M  V30 11 1 7 11
+M  V30 12 2 8 9
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 11) XBONDS=(1 11) BRKXYZ=(9 0.600000 0.000000 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS-
+M  V30 =LGRP
+M  V30 2 SUP 2 ATOMS=(10 1 2 3 4 5 6 7 8 9 10) XBONDS=(1 11) BRKXYZ=(9 -0.600-
+M  V30 000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.0-
+M  V30 00000) LABEL=A CLASS=BASE SAP=(3 7 11 Al) NATREPLACE=BASE/A
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 2 SUGAR/Rib/R NATREPLACE=SUGAR/R
+M  V30 BEGIN CTAB
+M  V30 COUNTS 12 12 4 0 0
+M  V30 BEGIN ATOM
+M  V30 1 O -1.1017 -1.0663 0.0 0
+M  V30 2 C -0.5897 0.3436 0.0 0 CFG=1
+M  V30 3 C 0.0809 -1.9889 0.0 0 CFG=2
+M  V30 4 C 0.9095 0.2924 0.0 0 CFG=2
+M  V30 5 C 1.3239 -1.1493 0.0 0 CFG=1
+M  V30 6 O 1.8285 1.4755 0.0 0
+M  V30 7 O 2.4518 -1.5589 0.0 0
+M  V30 8 C -1.431 1.5834 0.0 0
+M  V30 9 O 0.0399 -3.1881 0.0 0
+M  V30 10 O -2.9279 1.4755 0.0 0
+M  V30 11 H -3.6017 2.4684 0.0 0
+M  V30 12 H 3.0174 1.3125 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 1 1 3
+M  V30 3 1 2 4
+M  V30 4 1 2 8 CFG=3
+M  V30 5 1 3 5
+M  V30 6 1 3 9 CFG=3
+M  V30 7 1 4 5
+M  V30 8 1 4 6 CFG=1
+M  V30 9 1 5 7 CFG=1
+M  V30 10 1 6 12
+M  V30 11 1 8 10
+M  V30 12 1 10 11
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(4 2 3 4 5)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 11) XBONDS=(1 12) BRKXYZ=(9 0.336900 -0.496450 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
+M  V30 S=LGRP
+M  V30 2 SUP 2 ATOMS=(1 12) XBONDS=(1 10) BRKXYZ=(9 -0.594450 0.081500 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(1 9) XBONDS=(1 6) BRKXYZ=(9 0.020500 0.599600 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLASS=-
+M  V30 LGRP
+M  V30 4 SUP 4 ATOMS=(9 1 2 3 4 5 6 7 8 10) XBONDS=(3 6 10 12) BRKXYZ=(9 -0.0-
+M  V30 20500 -0.599600 0.000000 0.594450 -0.081500 0.000000 0.000000 0.000000-
+M  V30  0.000000) BRKXYZ=(9 -0.336900 0.496450 0.000000 0.000000 0.000000 0.0-
+M  V30 00000 0.000000 0.000000 0.000000) LABEL=R CLASS=SUGAR SAP=(3 10 11 Al)-
+M  V30  SAP=(3 6 12 Br) SAP=(3 3 9 Cx) NATREPLACE=SUGAR/R
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 3 PHOSPHATE/P/P NATREPLACE=PHOSPHATE/P
+M  V30 BEGIN CTAB
+M  V30 COUNTS 5 4 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 P -0.2399 0.0 0.0 0
+M  V30 2 O -1.4399 0.0 0.0 0
+M  V30 3 O 0.3598 -1.0394 0.0 0
+M  V30 4 O 0.9601 0.0 0.0 0
+M  V30 5 O 0.3598 1.0394 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 2 1 3
+M  V30 3 1 1 4
+M  V30 4 1 1 5
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 2) XBONDS=(1 1) BRKXYZ=(9 0.600000 0.000000 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 4) XBONDS=(1 3) BRKXYZ=(9 -0.600000 0.000000 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLASS-
+M  V30 =LGRP
+M  V30 3 SUP 3 ATOMS=(3 1 3 5) XBONDS=(2 1 3) BRKXYZ=(9 -0.600000 0.000000 0.-
+M  V30 000000 0.600000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=P -
+M  V30 CLASS=PHOSPHATE SAP=(3 1 2 Al) SAP=(3 1 4 Br) NATREPLACE=PHOSPHATE/P
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 4 BASE/Ura/U NATREPLACE=BASE/U
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 9 2 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.8617 1.3499 0.0 0
+M  V30 2 C 1.1117 0.0509 0.0 0
+M  V30 3 C -0.3883 0.0509 0.0 0
+M  V30 4 N -1.1382 1.35 0.0 0
+M  V30 5 C -0.3882 2.649 0.0 0
+M  V30 6 N 1.1117 2.6489 0.0 0
+M  V30 7 O 3.0618 1.3499 0.0 0
+M  V30 8 O -0.9882 3.6882 0.0 0
+M  V30 9 H -2.3383 1.35 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 1 7
+M  V30 2 1 1 6
+M  V30 3 1 1 2
+M  V30 4 2 2 3
+M  V30 5 1 3 4
+M  V30 6 1 4 5
+M  V30 7 1 4 9
+M  V30 8 2 5 8
+M  V30 9 1 5 6
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 9) XBONDS=(1 7) BRKXYZ=(9 0.600050 0.000000 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=L-
+M  V30 GRP
+M  V30 2 SUP 2 ATOMS=(8 1 2 3 4 5 6 7 8) XBONDS=(1 7) BRKXYZ=(9 -0.600050 0.0-
+M  V30 00000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) -
+M  V30 LABEL=U CLASS=BASE SAP=(3 4 9 Al) NATREPLACE=BASE/U
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 5 BASE/Cyt/C NATREPLACE=BASE/C
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 9 2 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.8617 1.3499 0.0 0
+M  V30 2 C 1.1117 2.6489 0.0 0
+M  V30 3 C -0.3882 2.649 0.0 0
+M  V30 4 N -1.1382 1.35 0.0 0
+M  V30 5 C -0.3883 0.0509 0.0 0
+M  V30 6 N 1.1117 0.0509 0.0 0
+M  V30 7 N 3.0618 1.3499 0.0 0
+M  V30 8 O -0.9884 -0.9883 0.0 0
+M  V30 9 H -2.3383 1.35 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 2 1 6
+M  V30 3 1 1 7
+M  V30 4 2 2 3
+M  V30 5 1 3 4
+M  V30 6 1 4 5
+M  V30 7 1 4 9
+M  V30 8 1 5 6
+M  V30 9 2 5 8
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 9) XBONDS=(1 7) BRKXYZ=(9 0.600050 0.000000 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=L-
+M  V30 GRP
+M  V30 2 SUP 2 ATOMS=(8 1 2 3 4 5 6 7 8) XBONDS=(1 7) BRKXYZ=(9 -0.600050 0.0-
+M  V30 00000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) -
+M  V30 LABEL=C CLASS=BASE SAP=(3 4 9 Al) NATREPLACE=BASE/C
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 END TEMPLATE
+M  END
diff --git a/Code/GraphMol/FileParsers/test_data/macromols/TestRNA2_fixed2.mol b/Code/GraphMol/FileParsers/test_data/macromols/TestRNA2_fixed2.mol
new file mode 100644
index 000000000..4bb64b062
--- /dev/null
+++ b/Code/GraphMol/FileParsers/test_data/macromols/TestRNA2_fixed2.mol
@@ -0,0 +1,232 @@
+
+  -INDIGO-01132508492D
+
+  0  0  0  0  0  0  0  0  0  0  0 V3000
+M  V30 BEGIN CTAB
+M  V30 COUNTS 15 14 0 0 0
+M  V30 BEGIN ATOM
+M  V30 1 A 1.25 -2.75 0.0 0 CLASS=BASE SEQID=1 ATTCHORD=(2 2 Al)
+M  V30 2 R 1.25 -1.25 0.0 0 CLASS=SUGAR SEQID=1 ATTCHORD=(4 1 Cx 15 Br)
+M  V30 3 U 4.25 -2.75 0.0 0 CLASS=BASE SEQID=2 ATTCHORD=(2 4 Al)
+M  V30 4 R 4.25 -1.25 0.0 0 CLASS=SUGAR SEQID=2 ATTCHORD=(6 3 Cx 5 Br 15 Al)
+M  V30 5 P 5.75 -1.25 0.0 0 CLASS=PHOSPHATE SEQID=2 ATTCHORD=(4 4 Al 7 Br)
+M  V30 6 C 7.25 -2.75 0.0 0 CLASS=BASE SEQID=3 ATTCHORD=(2 7 Al)
+M  V30 7 R 7.25 -1.25 0.0 0 CLASS=SUGAR SEQID=3 ATTCHORD=(6 6 Cx 8 Br 5 Al)
+M  V30 8 P 8.75 -1.25 0.0 0 CLASS=PHOSPHATE SEQID=3 ATTCHORD=(4 7 Al 10 Br)
+M  V30 9 A 10.25 -2.75 0.0 0 CLASS=BASE SEQID=4 ATTCHORD=(2 10 Al)
+M  V30 10 R 10.25 -1.25 0.0 0 CLASS=SUGAR SEQID=4 ATTCHORD=(6 9 Cx 11 Br 8 Al-
+M  V30 )
+M  V30 11 P 11.75 -1.25 0.0 0 CLASS=PHOSPHATE SEQID=4 ATTCHORD=(4 10 Al 13 Br-
+M  V30 )
+M  V30 12 U 13.25 -2.75 0.0 0 CLASS=BASE SEQID=5 ATTCHORD=(2 13 Al)
+M  V30 13 R 13.25 -1.25 0.0 0 CLASS=SUGAR SEQID=5 ATTCHORD=(6 12 Cx 14 Br 11 -
+M  V30 Al)
+M  V30 14 P 14.75 -1.25 0.0 0 CLASS=PHOSPHATE SEQID=5 ATTCHORD=(2 13 Al)
+M  V30 15 P 2.75 -1.25 0.0 0 CLASS=PHOSPHATE SEQID=1 ATTCHORD=(4 2 Al 4 Br)
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 1 3 4
+M  V30 3 1 4 5
+M  V30 4 1 6 7
+M  V30 5 1 7 8
+M  V30 6 1 5 7
+M  V30 7 1 9 10
+M  V30 8 1 10 11
+M  V30 9 1 8 10
+M  V30 10 1 12 13
+M  V30 11 1 13 14
+M  V30 12 1 11 13
+M  V30 13 1 2 15
+M  V30 14 1 15 4
+M  V30 END BOND
+M  V30 END CTAB
+M  V30 BEGIN TEMPLATE
+M  V30 TEMPLATE 1 BASE/Ade/A NATREPLACE=BASE/A
+M  V30 BEGIN CTAB
+M  V30 COUNTS 11 12 2 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.0354 0.2498 0.0 0
+M  V30 2 C -0.0792 -0.754 0.0 0
+M  V30 3 C -1.5057 -0.2906 0.0 0
+M  V30 4 N -1.8177 1.1766 0.0 0
+M  V30 5 C -0.7031 2.1804 0.0 0
+M  V30 6 N 0.7235 1.717 0.0 0
+M  V30 7 N -2.3871 -1.5034 0.0 0
+M  V30 8 C -1.5053 -2.7168 0.0 0
+M  V30 9 N -0.0787 -2.2532 0.0 0
+M  V30 10 N 2.1768 -0.1209 0.0 0
+M  V30 11 H -3.5871 -1.5034 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 10
+M  V30 2 2 1 6
+M  V30 3 1 1 2
+M  V30 4 1 9 2
+M  V30 5 2 2 3
+M  V30 6 1 7 3
+M  V30 7 1 3 4
+M  V30 8 2 4 5
+M  V30 9 1 5 6
+M  V30 10 1 7 8
+M  V30 11 1 7 11
+M  V30 12 2 8 9
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 11) XBONDS=(1 11) BRKXYZ=(9 0.600000 0.000000 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS-
+M  V30 =LGRP
+M  V30 2 SUP 2 ATOMS=(10 1 2 3 4 5 6 7 8 9 10) XBONDS=(1 11) BRKXYZ=(9 -0.600-
+M  V30 000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.0-
+M  V30 00000) LABEL=A CLASS=BASE SAP=(3 7 11 Al) NATREPLACE=BASE/A
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 2 SUGAR/Rib/R NATREPLACE=SUGAR/R
+M  V30 BEGIN CTAB
+M  V30 COUNTS 12 12 4 0 0
+M  V30 BEGIN ATOM
+M  V30 1 O -1.1017 -1.0663 0.0 0
+M  V30 2 C -0.5897 0.3436 0.0 0 CFG=1
+M  V30 3 C 0.0809 -1.9889 0.0 0 CFG=2
+M  V30 4 C 0.9095 0.2924 0.0 0 CFG=2
+M  V30 5 C 1.3239 -1.1493 0.0 0 CFG=1
+M  V30 6 O 1.8285 1.4755 0.0 0
+M  V30 7 O 2.4518 -1.5589 0.0 0
+M  V30 8 C -1.431 1.5834 0.0 0
+M  V30 9 O 0.0399 -3.1881 0.0 0
+M  V30 10 O -2.9279 1.4755 0.0 0
+M  V30 11 H -3.6017 2.4684 0.0 0
+M  V30 12 H 3.0174 1.3125 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 1 1 3
+M  V30 3 1 2 4
+M  V30 4 1 2 8 CFG=3
+M  V30 5 1 3 5
+M  V30 6 1 3 9 CFG=3
+M  V30 7 1 4 5
+M  V30 8 1 4 6 CFG=1
+M  V30 9 1 5 7 CFG=1
+M  V30 10 1 6 12
+M  V30 11 1 8 10
+M  V30 12 1 10 11
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(4 2 3 4 5)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 11) XBONDS=(1 12) BRKXYZ=(9 0.336900 -0.496450 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
+M  V30 S=LGRP
+M  V30 2 SUP 2 ATOMS=(1 12) XBONDS=(1 10) BRKXYZ=(9 -0.594450 0.081500 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(1 9) XBONDS=(1 6) BRKXYZ=(9 0.020500 0.599600 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLASS=-
+M  V30 LGRP
+M  V30 4 SUP 4 ATOMS=(9 1 2 3 4 5 6 7 8 10) XBONDS=(3 6 10 12) BRKXYZ=(9 -0.0-
+M  V30 20500 -0.599600 0.000000 0.594450 -0.081500 0.000000 0.000000 0.000000-
+M  V30  0.000000) BRKXYZ=(9 -0.336900 0.496450 0.000000 0.000000 0.000000 0.0-
+M  V30 00000 0.000000 0.000000 0.000000) LABEL=R CLASS=SUGAR SAP=(3 10 11 Al)-
+M  V30  SAP=(3 6 12 Br) SAP=(3 3 9 Cx) NATREPLACE=SUGAR/R
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 3 BASE/Ura/U NATREPLACE=BASE/U
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 9 2 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.8617 1.3499 0.0 0
+M  V30 2 C 1.1117 0.0509 0.0 0
+M  V30 3 C -0.3883 0.0509 0.0 0
+M  V30 4 N -1.1382 1.35 0.0 0
+M  V30 5 C -0.3882 2.649 0.0 0
+M  V30 6 N 1.1117 2.6489 0.0 0
+M  V30 7 O 3.0618 1.3499 0.0 0
+M  V30 8 O -0.9882 3.6882 0.0 0
+M  V30 9 H -2.3383 1.35 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 1 7
+M  V30 2 1 1 6
+M  V30 3 1 1 2
+M  V30 4 2 2 3
+M  V30 5 1 3 4
+M  V30 6 1 4 5
+M  V30 7 1 4 9
+M  V30 8 2 5 8
+M  V30 9 1 5 6
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 9) XBONDS=(1 7) BRKXYZ=(9 0.600050 0.000000 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=L-
+M  V30 GRP
+M  V30 2 SUP 2 ATOMS=(8 1 2 3 4 5 6 7 8) XBONDS=(1 7) BRKXYZ=(9 -0.600050 0.0-
+M  V30 00000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) -
+M  V30 LABEL=U CLASS=BASE SAP=(3 4 9 Al) NATREPLACE=BASE/U
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 4 PHOSPHATE/P/P NATREPLACE=PHOSPHATE/P
+M  V30 BEGIN CTAB
+M  V30 COUNTS 5 4 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 P -0.2399 0.0 0.0 0
+M  V30 2 O -1.4399 0.0 0.0 0
+M  V30 3 O 0.3598 -1.0394 0.0 0
+M  V30 4 O 0.9601 0.0 0.0 0
+M  V30 5 O 0.3598 1.0394 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 2 1 3
+M  V30 3 1 1 4
+M  V30 4 1 1 5
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 2) XBONDS=(1 1) BRKXYZ=(9 0.600000 0.000000 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 4) XBONDS=(1 3) BRKXYZ=(9 -0.600000 0.000000 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLASS-
+M  V30 =LGRP
+M  V30 3 SUP 3 ATOMS=(3 1 3 5) XBONDS=(2 1 3) BRKXYZ=(9 -0.600000 0.000000 0.-
+M  V30 000000 0.600000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=P -
+M  V30 CLASS=PHOSPHATE SAP=(3 1 2 Al) SAP=(3 1 4 Br) NATREPLACE=PHOSPHATE/P
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 5 BASE/Cyt/C NATREPLACE=BASE/C
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 9 2 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.8617 1.3499 0.0 0
+M  V30 2 C 1.1117 2.6489 0.0 0
+M  V30 3 C -0.3882 2.649 0.0 0
+M  V30 4 N -1.1382 1.35 0.0 0
+M  V30 5 C -0.3883 0.0509 0.0 0
+M  V30 6 N 1.1117 0.0509 0.0 0
+M  V30 7 N 3.0618 1.3499 0.0 0
+M  V30 8 O -0.9884 -0.9883 0.0 0
+M  V30 9 H -2.3383 1.35 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 2 1 6
+M  V30 3 1 1 7
+M  V30 4 2 2 3
+M  V30 5 1 3 4
+M  V30 6 1 4 5
+M  V30 7 1 4 9
+M  V30 8 1 5 6
+M  V30 9 2 5 8
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 9) XBONDS=(1 7) BRKXYZ=(9 0.600050 0.000000 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=L-
+M  V30 GRP
+M  V30 2 SUP 2 ATOMS=(8 1 2 3 4 5 6 7 8) XBONDS=(1 7) BRKXYZ=(9 -0.600050 0.0-
+M  V30 00000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) -
+M  V30 LABEL=C CLASS=BASE SAP=(3 4 9 Al) NATREPLACE=BASE/C
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 END TEMPLATE
+M  END
diff --git a/Code/GraphMol/FileParsers/test_data/macromols/TrastuzumabMaxPlus3Register.mol b/Code/GraphMol/FileParsers/test_data/macromols/TrastuzumabMaxPlus3Register.mol
new file mode 100644
index 000000000..2b6dbf123
--- /dev/null
+++ b/Code/GraphMol/FileParsers/test_data/macromols/TrastuzumabMaxPlus3Register.mol
@@ -0,0 +1,2851 @@
+
+  -INDIGO-01212517052D
+
+  0  0  0  0  0  0  0  0  0  0  0 V3000
+M  V30 BEGIN CTAB
+M  V30 COUNTS 925 933 0 0 0
+M  V30 BEGIN ATOM
+M  V30 1 E 1.25 -1.25 0.0 0 CLASS=AA SEQID=1 ATTCHORD=(2 2 Br)
+M  V30 2 V 2.75 -1.25 0.0 0 CLASS=AA SEQID=2 ATTCHORD=(4 1 Al 3 Br)
+M  V30 3 Q 4.25 -1.25 0.0 0 CLASS=AA SEQID=3 ATTCHORD=(4 2 Al 4 Br)
+M  V30 4 L 5.75 -1.25 0.0 0 CLASS=AA SEQID=4 ATTCHORD=(4 3 Al 5 Br)
+M  V30 5 V 7.25 -1.25 0.0 0 CLASS=AA SEQID=5 ATTCHORD=(4 4 Al 6 Br)
+M  V30 6 E 8.75 -1.25 0.0 0 CLASS=AA SEQID=6 ATTCHORD=(4 5 Al 7 Br)
+M  V30 7 S 10.25 -1.25 0.0 0 CLASS=AA SEQID=7 ATTCHORD=(4 6 Al 8 Br)
+M  V30 8 G 11.75 -1.25 0.0 0 CLASS=AA SEQID=8 ATTCHORD=(4 7 Al 9 Br)
+M  V30 9 G 13.25 -1.25 0.0 0 CLASS=AA SEQID=9 ATTCHORD=(4 8 Al 10 Br)
+M  V30 10 G 14.75 -1.25 0.0 0 CLASS=AA SEQID=10 ATTCHORD=(4 9 Al 11 Br)
+M  V30 11 L 16.25 -1.25 0.0 0 CLASS=AA SEQID=11 ATTCHORD=(4 10 Al 12 Br)
+M  V30 12 V 17.75 -1.25 0.0 0 CLASS=AA SEQID=12 ATTCHORD=(4 11 Al 13 Br)
+M  V30 13 Q 19.25 -1.25 0.0 0 CLASS=AA SEQID=13 ATTCHORD=(4 12 Al 14 Br)
+M  V30 14 P 20.75 -1.25 0.0 0 CLASS=AA SEQID=14 ATTCHORD=(4 13 Al 15 Br)
+M  V30 15 G 22.25 -1.25 0.0 0 CLASS=AA SEQID=15 ATTCHORD=(4 14 Al 16 Br)
+M  V30 16 G 23.75 -1.25 0.0 0 CLASS=AA SEQID=16 ATTCHORD=(4 15 Al 17 Br)
+M  V30 17 S 25.25 -1.25 0.0 0 CLASS=AA SEQID=17 ATTCHORD=(4 16 Al 18 Br)
+M  V30 18 L 26.75 -1.25 0.0 0 CLASS=AA SEQID=18 ATTCHORD=(4 17 Al 19 Br)
+M  V30 19 R 28.25 -1.25 0.0 0 CLASS=AA SEQID=19 ATTCHORD=(4 18 Al 20 Br)
+M  V30 20 L 29.75 -1.25 0.0 0 CLASS=AA SEQID=20 ATTCHORD=(4 19 Al 21 Br)
+M  V30 21 S 31.25 -1.25 0.0 0 CLASS=AA SEQID=21 ATTCHORD=(4 20 Al 22 Br)
+M  V30 22 C 32.75 -1.25 0.0 0 CLASS=AA SEQID=22 ATTCHORD=(6 21 Al 23 Br 96 Cx-
+M  V30 )
+M  V30 23 A 34.25 -1.25 0.0 0 CLASS=AA SEQID=23 ATTCHORD=(4 22 Al 24 Br)
+M  V30 24 A 35.75 -1.25 0.0 0 CLASS=AA SEQID=24 ATTCHORD=(4 23 Al 25 Br)
+M  V30 25 S 37.25 -1.25 0.0 0 CLASS=AA SEQID=25 ATTCHORD=(4 24 Al 26 Br)
+M  V30 26 G 1.25 -2.75 0.0 0 CLASS=AA SEQID=26 ATTCHORD=(4 25 Al 27 Br)
+M  V30 27 F 2.75 -2.75 0.0 0 CLASS=AA SEQID=27 ATTCHORD=(4 26 Al 28 Br)
+M  V30 28 N 4.25 -2.75 0.0 0 CLASS=AA SEQID=28 ATTCHORD=(4 27 Al 29 Br)
+M  V30 29 I 5.75 -2.75 0.0 0 CLASS=AA SEQID=29 ATTCHORD=(4 28 Al 30 Br)
+M  V30 30 K 7.25 -2.75 0.0 0 CLASS=AA SEQID=30 ATTCHORD=(4 29 Al 31 Br)
+M  V30 31 D 8.75 -2.75 0.0 0 CLASS=AA SEQID=31 ATTCHORD=(4 30 Al 32 Br)
+M  V30 32 T 10.25 -2.75 0.0 0 CLASS=AA SEQID=32 ATTCHORD=(4 31 Al 33 Br)
+M  V30 33 Y 11.75 -2.75 0.0 0 CLASS=AA SEQID=33 ATTCHORD=(4 32 Al 34 Br)
+M  V30 34 I 13.25 -2.75 0.0 0 CLASS=AA SEQID=34 ATTCHORD=(4 33 Al 35 Br)
+M  V30 35 H 14.75 -2.75 0.0 0 CLASS=AA SEQID=35 ATTCHORD=(4 34 Al 36 Br)
+M  V30 36 W 16.25 -2.75 0.0 0 CLASS=AA SEQID=36 ATTCHORD=(4 35 Al 37 Br)
+M  V30 37 V 17.75 -2.75 0.0 0 CLASS=AA SEQID=37 ATTCHORD=(4 36 Al 38 Br)
+M  V30 38 R 19.25 -2.75 0.0 0 CLASS=AA SEQID=38 ATTCHORD=(4 37 Al 39 Br)
+M  V30 39 Q 20.75 -2.75 0.0 0 CLASS=AA SEQID=39 ATTCHORD=(4 38 Al 40 Br)
+M  V30 40 A 22.25 -2.75 0.0 0 CLASS=AA SEQID=40 ATTCHORD=(4 39 Al 41 Br)
+M  V30 41 P 23.75 -2.75 0.0 0 CLASS=AA SEQID=41 ATTCHORD=(4 40 Al 42 Br)
+M  V30 42 G 25.25 -2.75 0.0 0 CLASS=AA SEQID=42 ATTCHORD=(4 41 Al 43 Br)
+M  V30 43 K 26.75 -2.75 0.0 0 CLASS=AA SEQID=43 ATTCHORD=(4 42 Al 44 Br)
+M  V30 44 G 28.25 -2.75 0.0 0 CLASS=AA SEQID=44 ATTCHORD=(4 43 Al 45 Br)
+M  V30 45 L 29.75 -2.75 0.0 0 CLASS=AA SEQID=45 ATTCHORD=(4 44 Al 46 Br)
+M  V30 46 E 31.25 -2.75 0.0 0 CLASS=AA SEQID=46 ATTCHORD=(4 45 Al 47 Br)
+M  V30 47 W 32.75 -2.75 0.0 0 CLASS=AA SEQID=47 ATTCHORD=(4 46 Al 48 Br)
+M  V30 48 V 34.25 -2.75 0.0 0 CLASS=AA SEQID=48 ATTCHORD=(4 47 Al 49 Br)
+M  V30 49 A 35.75 -2.75 0.0 0 CLASS=AA SEQID=49 ATTCHORD=(4 48 Al 50 Br)
+M  V30 50 R 37.25 -2.75 0.0 0 CLASS=AA SEQID=50 ATTCHORD=(4 49 Al 51 Br)
+M  V30 51 I 1.25 -4.25 0.0 0 CLASS=AA SEQID=51 ATTCHORD=(4 50 Al 52 Br)
+M  V30 52 Y 2.75 -4.25 0.0 0 CLASS=AA SEQID=52 ATTCHORD=(4 51 Al 53 Br)
+M  V30 53 P 4.25 -4.25 0.0 0 CLASS=AA SEQID=53 ATTCHORD=(4 52 Al 54 Br)
+M  V30 54 T 5.75 -4.25 0.0 0 CLASS=AA SEQID=54 ATTCHORD=(4 53 Al 55 Br)
+M  V30 55 N 7.25 -4.25 0.0 0 CLASS=AA SEQID=55 ATTCHORD=(4 54 Al 56 Br)
+M  V30 56 G 8.75 -4.25 0.0 0 CLASS=AA SEQID=56 ATTCHORD=(4 55 Al 57 Br)
+M  V30 57 Y 10.25 -4.25 0.0 0 CLASS=AA SEQID=57 ATTCHORD=(4 56 Al 58 Br)
+M  V30 58 T 11.75 -4.25 0.0 0 CLASS=AA SEQID=58 ATTCHORD=(4 57 Al 59 Br)
+M  V30 59 R 13.25 -4.25 0.0 0 CLASS=AA SEQID=59 ATTCHORD=(4 58 Al 60 Br)
+M  V30 60 Y 14.75 -4.25 0.0 0 CLASS=AA SEQID=60 ATTCHORD=(4 59 Al 61 Br)
+M  V30 61 A 16.25 -4.25 0.0 0 CLASS=AA SEQID=61 ATTCHORD=(4 60 Al 62 Br)
+M  V30 62 D 17.75 -4.25 0.0 0 CLASS=AA SEQID=62 ATTCHORD=(4 61 Al 63 Br)
+M  V30 63 S 19.25 -4.25 0.0 0 CLASS=AA SEQID=63 ATTCHORD=(4 62 Al 64 Br)
+M  V30 64 V 20.75 -4.25 0.0 0 CLASS=AA SEQID=64 ATTCHORD=(4 63 Al 65 Br)
+M  V30 65 K 22.25 -4.25 0.0 0 CLASS=AA SEQID=65 ATTCHORD=(4 64 Al 66 Br)
+M  V30 66 G 23.75 -4.25 0.0 0 CLASS=AA SEQID=66 ATTCHORD=(4 65 Al 67 Br)
+M  V30 67 R 25.25 -4.25 0.0 0 CLASS=AA SEQID=67 ATTCHORD=(4 66 Al 68 Br)
+M  V30 68 F 26.75 -4.25 0.0 0 CLASS=AA SEQID=68 ATTCHORD=(4 67 Al 69 Br)
+M  V30 69 T 28.25 -4.25 0.0 0 CLASS=AA SEQID=69 ATTCHORD=(4 68 Al 70 Br)
+M  V30 70 I 29.75 -4.25 0.0 0 CLASS=AA SEQID=70 ATTCHORD=(4 69 Al 71 Br)
+M  V30 71 S 31.25 -4.25 0.0 0 CLASS=AA SEQID=71 ATTCHORD=(4 70 Al 72 Br)
+M  V30 72 A 32.75 -4.25 0.0 0 CLASS=AA SEQID=72 ATTCHORD=(4 71 Al 73 Br)
+M  V30 73 D 34.25 -4.25 0.0 0 CLASS=AA SEQID=73 ATTCHORD=(4 72 Al 74 Br)
+M  V30 74 T 35.75 -4.25 0.0 0 CLASS=AA SEQID=74 ATTCHORD=(4 73 Al 75 Br)
+M  V30 75 S 37.25 -4.25 0.0 0 CLASS=AA SEQID=75 ATTCHORD=(4 74 Al 76 Br)
+M  V30 76 K 1.25 -5.75 0.0 0 CLASS=AA SEQID=76 ATTCHORD=(4 75 Al 77 Br)
+M  V30 77 N 2.75 -5.75 0.0 0 CLASS=AA SEQID=77 ATTCHORD=(4 76 Al 78 Br)
+M  V30 78 T 4.25 -5.75 0.0 0 CLASS=AA SEQID=78 ATTCHORD=(4 77 Al 79 Br)
+M  V30 79 A 5.75 -5.75 0.0 0 CLASS=AA SEQID=79 ATTCHORD=(4 78 Al 80 Br)
+M  V30 80 Y 7.25 -5.75 0.0 0 CLASS=AA SEQID=80 ATTCHORD=(4 79 Al 81 Br)
+M  V30 81 L 8.75 -5.75 0.0 0 CLASS=AA SEQID=81 ATTCHORD=(4 80 Al 82 Br)
+M  V30 82 Q 10.25 -5.75 0.0 0 CLASS=AA SEQID=82 ATTCHORD=(4 81 Al 83 Br)
+M  V30 83 M 11.75 -5.75 0.0 0 CLASS=AA SEQID=83 ATTCHORD=(4 82 Al 84 Br)
+M  V30 84 N 13.25 -5.75 0.0 0 CLASS=AA SEQID=84 ATTCHORD=(4 83 Al 85 Br)
+M  V30 85 S 14.75 -5.75 0.0 0 CLASS=AA SEQID=85 ATTCHORD=(4 84 Al 86 Br)
+M  V30 86 L 16.25 -5.75 0.0 0 CLASS=AA SEQID=86 ATTCHORD=(4 85 Al 87 Br)
+M  V30 87 R 17.75 -5.75 0.0 0 CLASS=AA SEQID=87 ATTCHORD=(4 86 Al 88 Br)
+M  V30 88 A 19.25 -5.75 0.0 0 CLASS=AA SEQID=88 ATTCHORD=(4 87 Al 89 Br)
+M  V30 89 E 20.75 -5.75 0.0 0 CLASS=AA SEQID=89 ATTCHORD=(4 88 Al 90 Br)
+M  V30 90 D 22.25 -5.75 0.0 0 CLASS=AA SEQID=90 ATTCHORD=(4 89 Al 91 Br)
+M  V30 91 T 23.75 -5.75 0.0 0 CLASS=AA SEQID=91 ATTCHORD=(4 90 Al 92 Br)
+M  V30 92 A 25.25 -5.75 0.0 0 CLASS=AA SEQID=92 ATTCHORD=(4 91 Al 93 Br)
+M  V30 93 V 26.75 -5.75 0.0 0 CLASS=AA SEQID=93 ATTCHORD=(4 92 Al 94 Br)
+M  V30 94 Y 28.25 -5.75 0.0 0 CLASS=AA SEQID=94 ATTCHORD=(4 93 Al 95 Br)
+M  V30 95 Y 29.75 -5.75 0.0 0 CLASS=AA SEQID=95 ATTCHORD=(4 94 Al 96 Br)
+M  V30 96 C 31.25 -5.75 0.0 0 CLASS=AA SEQID=96 ATTCHORD=(6 95 Al 97 Br 22 Cx-
+M  V30 )
+M  V30 97 S 32.75 -5.75 0.0 0 CLASS=AA SEQID=97 ATTCHORD=(4 96 Al 98 Br)
+M  V30 98 R 34.25 -5.75 0.0 0 CLASS=AA SEQID=98 ATTCHORD=(4 97 Al 99 Br)
+M  V30 99 W 35.75 -5.75 0.0 0 CLASS=AA SEQID=99 ATTCHORD=(4 98 Al 100 Br)
+M  V30 100 G 37.25 -5.75 0.0 0 CLASS=AA SEQID=100 ATTCHORD=(4 99 Al 101 Br)
+M  V30 101 G 1.25 -7.25 0.0 0 CLASS=AA SEQID=101 ATTCHORD=(4 100 Al 102 Br)
+M  V30 102 D 2.75 -7.25 0.0 0 CLASS=AA SEQID=102 ATTCHORD=(4 101 Al 103 Br)
+M  V30 103 G 4.25 -7.25 0.0 0 CLASS=AA SEQID=103 ATTCHORD=(4 102 Al 104 Br)
+M  V30 104 F 5.75 -7.25 0.0 0 CLASS=AA SEQID=104 ATTCHORD=(4 103 Al 105 Br)
+M  V30 105 Y 7.25 -7.25 0.0 0 CLASS=AA SEQID=105 ATTCHORD=(4 104 Al 106 Br)
+M  V30 106 A 8.75 -7.25 0.0 0 CLASS=AA SEQID=106 ATTCHORD=(4 105 Al 107 Br)
+M  V30 107 M 10.25 -7.25 0.0 0 CLASS=AA SEQID=107 ATTCHORD=(4 106 Al 108 Br)
+M  V30 108 D 11.75 -7.25 0.0 0 CLASS=AA SEQID=108 ATTCHORD=(4 107 Al 109 Br)
+M  V30 109 Y 13.25 -7.25 0.0 0 CLASS=AA SEQID=109 ATTCHORD=(4 108 Al 110 Br)
+M  V30 110 W 14.75 -7.25 0.0 0 CLASS=AA SEQID=110 ATTCHORD=(4 109 Al 111 Br)
+M  V30 111 G 16.25 -7.25 0.0 0 CLASS=AA SEQID=111 ATTCHORD=(4 110 Al 112 Br)
+M  V30 112 Q 17.75 -7.25 0.0 0 CLASS=AA SEQID=112 ATTCHORD=(4 111 Al 113 Br)
+M  V30 113 G 19.25 -7.25 0.0 0 CLASS=AA SEQID=113 ATTCHORD=(4 112 Al 114 Br)
+M  V30 114 T 20.75 -7.25 0.0 0 CLASS=AA SEQID=114 ATTCHORD=(4 113 Al 115 Br)
+M  V30 115 L 22.25 -7.25 0.0 0 CLASS=AA SEQID=115 ATTCHORD=(4 114 Al 116 Br)
+M  V30 116 V 23.75 -7.25 0.0 0 CLASS=AA SEQID=116 ATTCHORD=(4 115 Al 117 Br)
+M  V30 117 T 25.25 -7.25 0.0 0 CLASS=AA SEQID=117 ATTCHORD=(4 116 Al 118 Br)
+M  V30 118 V 26.75 -7.25 0.0 0 CLASS=AA SEQID=118 ATTCHORD=(4 117 Al 119 Br)
+M  V30 119 S 28.25 -7.25 0.0 0 CLASS=AA SEQID=119 ATTCHORD=(4 118 Al 120 Br)
+M  V30 120 S 29.75 -7.25 0.0 0 CLASS=AA SEQID=120 ATTCHORD=(4 119 Al 121 Br)
+M  V30 121 A 31.25 -7.25 0.0 0 CLASS=AA SEQID=121 ATTCHORD=(4 120 Al 122 Br)
+M  V30 122 S 32.75 -7.25 0.0 0 CLASS=AA SEQID=122 ATTCHORD=(4 121 Al 123 Br)
+M  V30 123 T 34.25 -7.25 0.0 0 CLASS=AA SEQID=123 ATTCHORD=(4 122 Al 124 Br)
+M  V30 124 K 35.75 -7.25 0.0 0 CLASS=AA SEQID=124 ATTCHORD=(4 123 Al 125 Br)
+M  V30 125 G 37.25 -7.25 0.0 0 CLASS=AA SEQID=125 ATTCHORD=(4 124 Al 126 Br)
+M  V30 126 P 1.25 -8.75 0.0 0 CLASS=AA SEQID=126 ATTCHORD=(4 125 Al 127 Br)
+M  V30 127 S 2.75 -8.75 0.0 0 CLASS=AA SEQID=127 ATTCHORD=(4 126 Al 128 Br)
+M  V30 128 V 4.25 -8.75 0.0 0 CLASS=AA SEQID=128 ATTCHORD=(4 127 Al 129 Br)
+M  V30 129 F 5.75 -8.75 0.0 0 CLASS=AA SEQID=129 ATTCHORD=(4 128 Al 130 Br)
+M  V30 130 P 7.25 -8.75 0.0 0 CLASS=AA SEQID=130 ATTCHORD=(4 129 Al 131 Br)
+M  V30 131 L 8.75 -8.75 0.0 0 CLASS=AA SEQID=131 ATTCHORD=(4 130 Al 132 Br)
+M  V30 132 A 10.25 -8.75 0.0 0 CLASS=AA SEQID=132 ATTCHORD=(4 131 Al 133 Br)
+M  V30 133 P 11.75 -8.75 0.0 0 CLASS=AA SEQID=133 ATTCHORD=(4 132 Al 134 Br)
+M  V30 134 S 13.25 -8.75 0.0 0 CLASS=AA SEQID=134 ATTCHORD=(4 133 Al 135 Br)
+M  V30 135 S 14.75 -8.75 0.0 0 CLASS=AA SEQID=135 ATTCHORD=(4 134 Al 136 Br)
+M  V30 136 K 16.25 -8.75 0.0 0 CLASS=AA SEQID=136 ATTCHORD=(4 135 Al 137 Br)
+M  V30 137 S 17.75 -8.75 0.0 0 CLASS=AA SEQID=137 ATTCHORD=(4 136 Al 138 Br)
+M  V30 138 T 19.25 -8.75 0.0 0 CLASS=AA SEQID=138 ATTCHORD=(4 137 Al 139 Br)
+M  V30 139 S 20.75 -8.75 0.0 0 CLASS=AA SEQID=139 ATTCHORD=(4 138 Al 140 Br)
+M  V30 140 G 22.25 -8.75 0.0 0 CLASS=AA SEQID=140 ATTCHORD=(4 139 Al 141 Br)
+M  V30 141 G 23.75 -8.75 0.0 0 CLASS=AA SEQID=141 ATTCHORD=(4 140 Al 142 Br)
+M  V30 142 T 25.25 -8.75 0.0 0 CLASS=AA SEQID=142 ATTCHORD=(4 141 Al 143 Br)
+M  V30 143 A 26.75 -8.75 0.0 0 CLASS=AA SEQID=143 ATTCHORD=(4 142 Al 144 Br)
+M  V30 144 A 28.25 -8.75 0.0 0 CLASS=AA SEQID=144 ATTCHORD=(4 143 Al 145 Br)
+M  V30 145 L 29.75 -8.75 0.0 0 CLASS=AA SEQID=145 ATTCHORD=(4 144 Al 146 Br)
+M  V30 146 G 31.25 -8.75 0.0 0 CLASS=AA SEQID=146 ATTCHORD=(4 145 Al 147 Br)
+M  V30 147 C 32.75 -8.75 0.0 0 CLASS=AA SEQID=147 ATTCHORD=(6 146 Al 148 Br 2-
+M  V30 03 Cx)
+M  V30 148 L 34.25 -8.75 0.0 0 CLASS=AA SEQID=148 ATTCHORD=(4 147 Al 149 Br)
+M  V30 149 V 35.75 -8.75 0.0 0 CLASS=AA SEQID=149 ATTCHORD=(4 148 Al 150 Br)
+M  V30 150 K 37.25 -8.75 0.0 0 CLASS=AA SEQID=150 ATTCHORD=(4 149 Al 151 Br)
+M  V30 151 D 1.25 -10.25 0.0 0 CLASS=AA SEQID=151 ATTCHORD=(4 150 Al 152 Br)
+M  V30 152 Y 2.75 -10.25 0.0 0 CLASS=AA SEQID=152 ATTCHORD=(4 151 Al 153 Br)
+M  V30 153 F 4.25 -10.25 0.0 0 CLASS=AA SEQID=153 ATTCHORD=(4 152 Al 154 Br)
+M  V30 154 P 5.75 -10.25 0.0 0 CLASS=AA SEQID=154 ATTCHORD=(4 153 Al 155 Br)
+M  V30 155 E 7.25 -10.25 0.0 0 CLASS=AA SEQID=155 ATTCHORD=(4 154 Al 156 Br)
+M  V30 156 P 8.75 -10.25 0.0 0 CLASS=AA SEQID=156 ATTCHORD=(4 155 Al 157 Br)
+M  V30 157 V 10.25 -10.25 0.0 0 CLASS=AA SEQID=157 ATTCHORD=(4 156 Al 158 Br)
+M  V30 158 T 11.75 -10.25 0.0 0 CLASS=AA SEQID=158 ATTCHORD=(4 157 Al 159 Br)
+M  V30 159 V 13.25 -10.25 0.0 0 CLASS=AA SEQID=159 ATTCHORD=(4 158 Al 160 Br)
+M  V30 160 S 14.75 -10.25 0.0 0 CLASS=AA SEQID=160 ATTCHORD=(4 159 Al 161 Br)
+M  V30 161 W 16.25 -10.25 0.0 0 CLASS=AA SEQID=161 ATTCHORD=(4 160 Al 162 Br)
+M  V30 162 N 17.75 -10.25 0.0 0 CLASS=AA SEQID=162 ATTCHORD=(4 161 Al 163 Br)
+M  V30 163 S 19.25 -10.25 0.0 0 CLASS=AA SEQID=163 ATTCHORD=(4 162 Al 164 Br)
+M  V30 164 G 20.75 -10.25 0.0 0 CLASS=AA SEQID=164 ATTCHORD=(4 163 Al 165 Br)
+M  V30 165 A 22.25 -10.25 0.0 0 CLASS=AA SEQID=165 ATTCHORD=(4 164 Al 166 Br)
+M  V30 166 L 23.75 -10.25 0.0 0 CLASS=AA SEQID=166 ATTCHORD=(4 165 Al 167 Br)
+M  V30 167 T 25.25 -10.25 0.0 0 CLASS=AA SEQID=167 ATTCHORD=(4 166 Al 168 Br)
+M  V30 168 S 26.75 -10.25 0.0 0 CLASS=AA SEQID=168 ATTCHORD=(4 167 Al 169 Br)
+M  V30 169 G 28.25 -10.25 0.0 0 CLASS=AA SEQID=169 ATTCHORD=(4 168 Al 170 Br)
+M  V30 170 V 29.75 -10.25 0.0 0 CLASS=AA SEQID=170 ATTCHORD=(4 169 Al 171 Br)
+M  V30 171 H 31.25 -10.25 0.0 0 CLASS=AA SEQID=171 ATTCHORD=(4 170 Al 172 Br)
+M  V30 172 T 32.75 -10.25 0.0 0 CLASS=AA SEQID=172 ATTCHORD=(4 171 Al 173 Br)
+M  V30 173 F 34.25 -10.25 0.0 0 CLASS=AA SEQID=173 ATTCHORD=(4 172 Al 174 Br)
+M  V30 174 P 35.75 -10.25 0.0 0 CLASS=AA SEQID=174 ATTCHORD=(4 173 Al 175 Br)
+M  V30 175 A 37.25 -10.25 0.0 0 CLASS=AA SEQID=175 ATTCHORD=(4 174 Al 176 Br)
+M  V30 176 V 1.25 -11.75 0.0 0 CLASS=AA SEQID=176 ATTCHORD=(4 175 Al 177 Br)
+M  V30 177 L 2.75 -11.75 0.0 0 CLASS=AA SEQID=177 ATTCHORD=(4 176 Al 178 Br)
+M  V30 178 Q 4.25 -11.75 0.0 0 CLASS=AA SEQID=178 ATTCHORD=(4 177 Al 179 Br)
+M  V30 179 S 5.75 -11.75 0.0 0 CLASS=AA SEQID=179 ATTCHORD=(4 178 Al 180 Br)
+M  V30 180 S 7.25 -11.75 0.0 0 CLASS=AA SEQID=180 ATTCHORD=(4 179 Al 181 Br)
+M  V30 181 G 8.75 -11.75 0.0 0 CLASS=AA SEQID=181 ATTCHORD=(4 180 Al 182 Br)
+M  V30 182 L 10.25 -11.75 0.0 0 CLASS=AA SEQID=182 ATTCHORD=(4 181 Al 183 Br)
+M  V30 183 Y 11.75 -11.75 0.0 0 CLASS=AA SEQID=183 ATTCHORD=(4 182 Al 184 Br)
+M  V30 184 S 13.25 -11.75 0.0 0 CLASS=AA SEQID=184 ATTCHORD=(4 183 Al 185 Br)
+M  V30 185 L 14.75 -11.75 0.0 0 CLASS=AA SEQID=185 ATTCHORD=(4 184 Al 186 Br)
+M  V30 186 S 16.25 -11.75 0.0 0 CLASS=AA SEQID=186 ATTCHORD=(4 185 Al 187 Br)
+M  V30 187 S 17.75 -11.75 0.0 0 CLASS=AA SEQID=187 ATTCHORD=(4 186 Al 188 Br)
+M  V30 188 V 19.25 -11.75 0.0 0 CLASS=AA SEQID=188 ATTCHORD=(4 187 Al 189 Br)
+M  V30 189 V 20.75 -11.75 0.0 0 CLASS=AA SEQID=189 ATTCHORD=(4 188 Al 190 Br)
+M  V30 190 T 22.25 -11.75 0.0 0 CLASS=AA SEQID=190 ATTCHORD=(4 189 Al 191 Br)
+M  V30 191 V 23.75 -11.75 0.0 0 CLASS=AA SEQID=191 ATTCHORD=(4 190 Al 192 Br)
+M  V30 192 P 25.25 -11.75 0.0 0 CLASS=AA SEQID=192 ATTCHORD=(4 191 Al 193 Br)
+M  V30 193 S 26.75 -11.75 0.0 0 CLASS=AA SEQID=193 ATTCHORD=(4 192 Al 194 Br)
+M  V30 194 S 28.25 -11.75 0.0 0 CLASS=AA SEQID=194 ATTCHORD=(4 193 Al 195 Br)
+M  V30 195 S 29.75 -11.75 0.0 0 CLASS=AA SEQID=195 ATTCHORD=(4 194 Al 196 Br)
+M  V30 196 L 31.25 -11.75 0.0 0 CLASS=AA SEQID=196 ATTCHORD=(4 195 Al 197 Br)
+M  V30 197 G 32.75 -11.75 0.0 0 CLASS=AA SEQID=197 ATTCHORD=(4 196 Al 198 Br)
+M  V30 198 T 34.25 -11.75 0.0 0 CLASS=AA SEQID=198 ATTCHORD=(4 197 Al 199 Br)
+M  V30 199 Q 35.75 -11.75 0.0 0 CLASS=AA SEQID=199 ATTCHORD=(4 198 Al 200 Br)
+M  V30 200 T 37.25 -11.75 0.0 0 CLASS=AA SEQID=200 ATTCHORD=(4 199 Al 201 Br)
+M  V30 201 Y 1.25 -13.25 0.0 0 CLASS=AA SEQID=201 ATTCHORD=(4 200 Al 202 Br)
+M  V30 202 I 2.75 -13.25 0.0 0 CLASS=AA SEQID=202 ATTCHORD=(4 201 Al 203 Br)
+M  V30 203 C 4.25 -13.25 0.0 0 CLASS=AA SEQID=203 ATTCHORD=(6 202 Al 204 Br 1-
+M  V30 47 Cx)
+M  V30 204 N 5.75 -13.25 0.0 0 CLASS=AA SEQID=204 ATTCHORD=(4 203 Al 205 Br)
+M  V30 205 V 7.25 -13.25 0.0 0 CLASS=AA SEQID=205 ATTCHORD=(4 204 Al 206 Br)
+M  V30 206 N 8.75 -13.25 0.0 0 CLASS=AA SEQID=206 ATTCHORD=(4 205 Al 207 Br)
+M  V30 207 H 10.25 -13.25 0.0 0 CLASS=AA SEQID=207 ATTCHORD=(4 206 Al 208 Br)
+M  V30 208 K 11.75 -13.25 0.0 0 CLASS=AA SEQID=208 ATTCHORD=(4 207 Al 209 Br)
+M  V30 209 P 13.25 -13.25 0.0 0 CLASS=AA SEQID=209 ATTCHORD=(4 208 Al 210 Br)
+M  V30 210 S 14.75 -13.25 0.0 0 CLASS=AA SEQID=210 ATTCHORD=(4 209 Al 211 Br)
+M  V30 211 N 16.25 -13.25 0.0 0 CLASS=AA SEQID=211 ATTCHORD=(4 210 Al 212 Br)
+M  V30 212 T 17.75 -13.25 0.0 0 CLASS=AA SEQID=212 ATTCHORD=(4 211 Al 213 Br)
+M  V30 213 K 19.25 -13.25 0.0 0 CLASS=AA SEQID=213 ATTCHORD=(4 212 Al 214 Br)
+M  V30 214 V 20.75 -13.25 0.0 0 CLASS=AA SEQID=214 ATTCHORD=(4 213 Al 215 Br)
+M  V30 215 D 22.25 -13.25 0.0 0 CLASS=AA SEQID=215 ATTCHORD=(4 214 Al 216 Br)
+M  V30 216 K 23.75 -13.25 0.0 0 CLASS=AA SEQID=216 ATTCHORD=(4 215 Al 217 Br)
+M  V30 217 K 25.25 -13.25 0.0 0 CLASS=AA SEQID=217 ATTCHORD=(4 216 Al 218 Br)
+M  V30 218 V 26.75 -13.25 0.0 0 CLASS=AA SEQID=218 ATTCHORD=(4 217 Al 219 Br)
+M  V30 219 E 28.25 -13.25 0.0 0 CLASS=AA SEQID=219 ATTCHORD=(4 218 Al 220 Br)
+M  V30 220 P 29.75 -13.25 0.0 0 CLASS=AA SEQID=220 ATTCHORD=(4 219 Al 221 Br)
+M  V30 221 K 31.25 -13.25 0.0 0 CLASS=AA SEQID=221 ATTCHORD=(4 220 Al 222 Br)
+M  V30 222 S 32.75 -13.25 0.0 0 CLASS=AA SEQID=222 ATTCHORD=(4 221 Al 223 Br)
+M  V30 223 C 34.25 -13.25 0.0 0 CLASS=AA SEQID=223 ATTCHORD=(6 222 Al 224 Br -
+M  V30 611 Cx)
+M  V30 224 D 35.75 -13.25 0.0 0 CLASS=AA SEQID=224 ATTCHORD=(4 223 Al 225 Br)
+M  V30 225 K 37.25 -13.25 0.0 0 CLASS=AA SEQID=225 ATTCHORD=(4 224 Al 226 Br)
+M  V30 226 T 1.25 -14.75 0.0 0 CLASS=AA SEQID=226 ATTCHORD=(4 225 Al 227 Br)
+M  V30 227 H 2.75 -14.75 0.0 0 CLASS=AA SEQID=227 ATTCHORD=(4 226 Al 228 Br)
+M  V30 228 T 4.25 -14.75 0.0 0 CLASS=AA SEQID=228 ATTCHORD=(4 227 Al 229 Br)
+M  V30 229 C 5.75 -14.75 0.0 0 CLASS=AA SEQID=229 ATTCHORD=(6 228 Al 230 Br 6-
+M  V30 80 Cx)
+M  V30 230 P 7.25 -14.75 0.0 0 CLASS=AA SEQID=230 ATTCHORD=(4 229 Al 231 Br)
+M  V30 231 P 8.75 -14.75 0.0 0 CLASS=AA SEQID=231 ATTCHORD=(4 230 Al 232 Br)
+M  V30 232 C 10.25 -14.75 0.0 0 CLASS=AA SEQID=232 ATTCHORD=(6 231 Al 233 Br -
+M  V30 683 Cx)
+M  V30 233 P 11.75 -14.75 0.0 0 CLASS=AA SEQID=233 ATTCHORD=(4 232 Al 234 Br)
+M  V30 234 A 13.25 -14.75 0.0 0 CLASS=AA SEQID=234 ATTCHORD=(4 233 Al 235 Br)
+M  V30 235 P 14.75 -14.75 0.0 0 CLASS=AA SEQID=235 ATTCHORD=(4 234 Al 236 Br)
+M  V30 236 E 16.25 -14.75 0.0 0 CLASS=AA SEQID=236 ATTCHORD=(4 235 Al 237 Br)
+M  V30 237 L 17.75 -14.75 0.0 0 CLASS=AA SEQID=237 ATTCHORD=(4 236 Al 238 Br)
+M  V30 238 L 19.25 -14.75 0.0 0 CLASS=AA SEQID=238 ATTCHORD=(4 237 Al 239 Br)
+M  V30 239 G 20.75 -14.75 0.0 0 CLASS=AA SEQID=239 ATTCHORD=(4 238 Al 240 Br)
+M  V30 240 G 22.25 -14.75 0.0 0 CLASS=AA SEQID=240 ATTCHORD=(4 239 Al 241 Br)
+M  V30 241 P 23.75 -14.75 0.0 0 CLASS=AA SEQID=241 ATTCHORD=(4 240 Al 242 Br)
+M  V30 242 S 25.25 -14.75 0.0 0 CLASS=AA SEQID=242 ATTCHORD=(4 241 Al 243 Br)
+M  V30 243 V 26.75 -14.75 0.0 0 CLASS=AA SEQID=243 ATTCHORD=(4 242 Al 244 Br)
+M  V30 244 F 28.25 -14.75 0.0 0 CLASS=AA SEQID=244 ATTCHORD=(4 243 Al 245 Br)
+M  V30 245 L 29.75 -14.75 0.0 0 CLASS=AA SEQID=245 ATTCHORD=(4 244 Al 246 Br)
+M  V30 246 F 31.25 -14.75 0.0 0 CLASS=AA SEQID=246 ATTCHORD=(4 245 Al 247 Br)
+M  V30 247 P 32.75 -14.75 0.0 0 CLASS=AA SEQID=247 ATTCHORD=(4 246 Al 248 Br)
+M  V30 248 P 34.25 -14.75 0.0 0 CLASS=AA SEQID=248 ATTCHORD=(4 247 Al 249 Br)
+M  V30 249 K 35.75 -14.75 0.0 0 CLASS=AA SEQID=249 ATTCHORD=(4 248 Al 250 Br)
+M  V30 250 P 37.25 -14.75 0.0 0 CLASS=AA SEQID=250 ATTCHORD=(4 249 Al 251 Br)
+M  V30 251 K 1.25 -16.25 0.0 0 CLASS=AA SEQID=251 ATTCHORD=(4 250 Al 252 Br)
+M  V30 252 D 2.75 -16.25 0.0 0 CLASS=AA SEQID=252 ATTCHORD=(4 251 Al 253 Br)
+M  V30 253 T 4.25 -16.25 0.0 0 CLASS=AA SEQID=253 ATTCHORD=(4 252 Al 254 Br)
+M  V30 254 L 5.75 -16.25 0.0 0 CLASS=AA SEQID=254 ATTCHORD=(4 253 Al 255 Br)
+M  V30 255 M 7.25 -16.25 0.0 0 CLASS=AA SEQID=255 ATTCHORD=(4 254 Al 256 Br)
+M  V30 256 I 8.75 -16.25 0.0 0 CLASS=AA SEQID=256 ATTCHORD=(4 255 Al 257 Br)
+M  V30 257 S 10.25 -16.25 0.0 0 CLASS=AA SEQID=257 ATTCHORD=(4 256 Al 258 Br)
+M  V30 258 R 11.75 -16.25 0.0 0 CLASS=AA SEQID=258 ATTCHORD=(4 257 Al 259 Br)
+M  V30 259 T 13.25 -16.25 0.0 0 CLASS=AA SEQID=259 ATTCHORD=(4 258 Al 260 Br)
+M  V30 260 P 14.75 -16.25 0.0 0 CLASS=AA SEQID=260 ATTCHORD=(4 259 Al 261 Br)
+M  V30 261 E 16.25 -16.25 0.0 0 CLASS=AA SEQID=261 ATTCHORD=(4 260 Al 262 Br)
+M  V30 262 V 17.75 -16.25 0.0 0 CLASS=AA SEQID=262 ATTCHORD=(4 261 Al 263 Br)
+M  V30 263 T 19.25 -16.25 0.0 0 CLASS=AA SEQID=263 ATTCHORD=(4 262 Al 264 Br)
+M  V30 264 C 20.75 -16.25 0.0 0 CLASS=AA SEQID=264 ATTCHORD=(6 263 Al 265 Br -
+M  V30 324 Cx)
+M  V30 265 V 22.25 -16.25 0.0 0 CLASS=AA SEQID=265 ATTCHORD=(4 264 Al 266 Br)
+M  V30 266 V 23.75 -16.25 0.0 0 CLASS=AA SEQID=266 ATTCHORD=(4 265 Al 267 Br)
+M  V30 267 V 25.25 -16.25 0.0 0 CLASS=AA SEQID=267 ATTCHORD=(4 266 Al 268 Br)
+M  V30 268 D 26.75 -16.25 0.0 0 CLASS=AA SEQID=268 ATTCHORD=(4 267 Al 269 Br)
+M  V30 269 V 28.25 -16.25 0.0 0 CLASS=AA SEQID=269 ATTCHORD=(4 268 Al 270 Br)
+M  V30 270 S 29.75 -16.25 0.0 0 CLASS=AA SEQID=270 ATTCHORD=(4 269 Al 271 Br)
+M  V30 271 H 31.25 -16.25 0.0 0 CLASS=AA SEQID=271 ATTCHORD=(4 270 Al 272 Br)
+M  V30 272 E 32.75 -16.25 0.0 0 CLASS=AA SEQID=272 ATTCHORD=(4 271 Al 273 Br)
+M  V30 273 D 34.25 -16.25 0.0 0 CLASS=AA SEQID=273 ATTCHORD=(4 272 Al 274 Br)
+M  V30 274 P 35.75 -16.25 0.0 0 CLASS=AA SEQID=274 ATTCHORD=(4 273 Al 275 Br)
+M  V30 275 E 37.25 -16.25 0.0 0 CLASS=AA SEQID=275 ATTCHORD=(4 274 Al 276 Br)
+M  V30 276 V 1.25 -17.75 0.0 0 CLASS=AA SEQID=276 ATTCHORD=(4 275 Al 277 Br)
+M  V30 277 K 2.75 -17.75 0.0 0 CLASS=AA SEQID=277 ATTCHORD=(4 276 Al 278 Br)
+M  V30 278 F 4.25 -17.75 0.0 0 CLASS=AA SEQID=278 ATTCHORD=(4 277 Al 279 Br)
+M  V30 279 N 5.75 -17.75 0.0 0 CLASS=AA SEQID=279 ATTCHORD=(4 278 Al 280 Br)
+M  V30 280 W 7.25 -17.75 0.0 0 CLASS=AA SEQID=280 ATTCHORD=(4 279 Al 281 Br)
+M  V30 281 Y 8.75 -17.75 0.0 0 CLASS=AA SEQID=281 ATTCHORD=(4 280 Al 282 Br)
+M  V30 282 V 10.25 -17.75 0.0 0 CLASS=AA SEQID=282 ATTCHORD=(4 281 Al 283 Br)
+M  V30 283 D 11.75 -17.75 0.0 0 CLASS=AA SEQID=283 ATTCHORD=(4 282 Al 284 Br)
+M  V30 284 G 13.25 -17.75 0.0 0 CLASS=AA SEQID=284 ATTCHORD=(4 283 Al 285 Br)
+M  V30 285 V 14.75 -17.75 0.0 0 CLASS=AA SEQID=285 ATTCHORD=(4 284 Al 286 Br)
+M  V30 286 E 16.25 -17.75 0.0 0 CLASS=AA SEQID=286 ATTCHORD=(4 285 Al 287 Br)
+M  V30 287 V 17.75 -17.75 0.0 0 CLASS=AA SEQID=287 ATTCHORD=(4 286 Al 288 Br)
+M  V30 288 H 19.25 -17.75 0.0 0 CLASS=AA SEQID=288 ATTCHORD=(4 287 Al 289 Br)
+M  V30 289 N 20.75 -17.75 0.0 0 CLASS=AA SEQID=289 ATTCHORD=(4 288 Al 290 Br)
+M  V30 290 A 22.25 -17.75 0.0 0 CLASS=AA SEQID=290 ATTCHORD=(4 289 Al 291 Br)
+M  V30 291 K 23.75 -17.75 0.0 0 CLASS=AA SEQID=291 ATTCHORD=(4 290 Al 292 Br)
+M  V30 292 T 25.25 -17.75 0.0 0 CLASS=AA SEQID=292 ATTCHORD=(4 291 Al 293 Br)
+M  V30 293 K 26.75 -17.75 0.0 0 CLASS=AA SEQID=293 ATTCHORD=(4 292 Al 294 Br)
+M  V30 294 P 28.25 -17.75 0.0 0 CLASS=AA SEQID=294 ATTCHORD=(4 293 Al 295 Br)
+M  V30 295 R 29.75 -17.75 0.0 0 CLASS=AA SEQID=295 ATTCHORD=(4 294 Al 296 Br)
+M  V30 296 E 31.25 -17.75 0.0 0 CLASS=AA SEQID=296 ATTCHORD=(4 295 Al 297 Br)
+M  V30 297 E 32.75 -17.75 0.0 0 CLASS=AA SEQID=297 ATTCHORD=(4 296 Al 298 Br)
+M  V30 298 Q 34.25 -17.75 0.0 0 CLASS=AA SEQID=298 ATTCHORD=(4 297 Al 299 Br)
+M  V30 299 Y 35.75 -17.75 0.0 0 CLASS=AA SEQID=299 ATTCHORD=(4 298 Al 300 Br)
+M  V30 300 N 37.25 -17.75 0.0 0 CLASS=AA SEQID=300 ATTCHORD=(4 299 Al 301 Br)
+M  V30 301 S 1.25 -19.25 0.0 0 CLASS=AA SEQID=301 ATTCHORD=(4 300 Al 302 Br)
+M  V30 302 T 2.75 -19.25 0.0 0 CLASS=AA SEQID=302 ATTCHORD=(4 301 Al 303 Br)
+M  V30 303 Y 4.25 -19.25 0.0 0 CLASS=AA SEQID=303 ATTCHORD=(4 302 Al 304 Br)
+M  V30 304 R 5.75 -19.25 0.0 0 CLASS=AA SEQID=304 ATTCHORD=(4 303 Al 305 Br)
+M  V30 305 V 7.25 -19.25 0.0 0 CLASS=AA SEQID=305 ATTCHORD=(4 304 Al 306 Br)
+M  V30 306 V 8.75 -19.25 0.0 0 CLASS=AA SEQID=306 ATTCHORD=(4 305 Al 307 Br)
+M  V30 307 S 10.25 -19.25 0.0 0 CLASS=AA SEQID=307 ATTCHORD=(4 306 Al 308 Br)
+M  V30 308 V 11.75 -19.25 0.0 0 CLASS=AA SEQID=308 ATTCHORD=(4 307 Al 309 Br)
+M  V30 309 L 13.25 -19.25 0.0 0 CLASS=AA SEQID=309 ATTCHORD=(4 308 Al 310 Br)
+M  V30 310 T 14.75 -19.25 0.0 0 CLASS=AA SEQID=310 ATTCHORD=(4 309 Al 311 Br)
+M  V30 311 V 16.25 -19.25 0.0 0 CLASS=AA SEQID=311 ATTCHORD=(4 310 Al 312 Br)
+M  V30 312 L 17.75 -19.25 0.0 0 CLASS=AA SEQID=312 ATTCHORD=(4 311 Al 313 Br)
+M  V30 313 H 19.25 -19.25 0.0 0 CLASS=AA SEQID=313 ATTCHORD=(4 312 Al 314 Br)
+M  V30 314 Q 20.75 -19.25 0.0 0 CLASS=AA SEQID=314 ATTCHORD=(4 313 Al 315 Br)
+M  V30 315 D 22.25 -19.25 0.0 0 CLASS=AA SEQID=315 ATTCHORD=(4 314 Al 316 Br)
+M  V30 316 W 23.75 -19.25 0.0 0 CLASS=AA SEQID=316 ATTCHORD=(4 315 Al 317 Br)
+M  V30 317 L 25.25 -19.25 0.0 0 CLASS=AA SEQID=317 ATTCHORD=(4 316 Al 318 Br)
+M  V30 318 N 26.75 -19.25 0.0 0 CLASS=AA SEQID=318 ATTCHORD=(4 317 Al 319 Br)
+M  V30 319 G 28.25 -19.25 0.0 0 CLASS=AA SEQID=319 ATTCHORD=(4 318 Al 320 Br)
+M  V30 320 K 29.75 -19.25 0.0 0 CLASS=AA SEQID=320 ATTCHORD=(4 319 Al 321 Br)
+M  V30 321 E 31.25 -19.25 0.0 0 CLASS=AA SEQID=321 ATTCHORD=(4 320 Al 322 Br)
+M  V30 322 Y 32.75 -19.25 0.0 0 CLASS=AA SEQID=322 ATTCHORD=(4 321 Al 323 Br)
+M  V30 323 K 34.25 -19.25 0.0 0 CLASS=AA SEQID=323 ATTCHORD=(4 322 Al 324 Br)
+M  V30 324 C 35.75 -19.25 0.0 0 CLASS=AA SEQID=324 ATTCHORD=(6 323 Al 325 Br -
+M  V30 264 Cx)
+M  V30 325 K 37.25 -19.25 0.0 0 CLASS=AA SEQID=325 ATTCHORD=(4 324 Al 326 Br)
+M  V30 326 V 1.25 -20.75 0.0 0 CLASS=AA SEQID=326 ATTCHORD=(4 325 Al 327 Br)
+M  V30 327 S 2.75 -20.75 0.0 0 CLASS=AA SEQID=327 ATTCHORD=(4 326 Al 328 Br)
+M  V30 328 N 4.25 -20.75 0.0 0 CLASS=AA SEQID=328 ATTCHORD=(4 327 Al 329 Br)
+M  V30 329 K 5.75 -20.75 0.0 0 CLASS=AA SEQID=329 ATTCHORD=(4 328 Al 330 Br)
+M  V30 330 A 7.25 -20.75 0.0 0 CLASS=AA SEQID=330 ATTCHORD=(4 329 Al 331 Br)
+M  V30 331 L 8.75 -20.75 0.0 0 CLASS=AA SEQID=331 ATTCHORD=(4 330 Al 332 Br)
+M  V30 332 P 10.25 -20.75 0.0 0 CLASS=AA SEQID=332 ATTCHORD=(4 331 Al 333 Br)
+M  V30 333 A 11.75 -20.75 0.0 0 CLASS=AA SEQID=333 ATTCHORD=(4 332 Al 334 Br)
+M  V30 334 P 13.25 -20.75 0.0 0 CLASS=AA SEQID=334 ATTCHORD=(4 333 Al 335 Br)
+M  V30 335 I 14.75 -20.75 0.0 0 CLASS=AA SEQID=335 ATTCHORD=(4 334 Al 336 Br)
+M  V30 336 E 16.25 -20.75 0.0 0 CLASS=AA SEQID=336 ATTCHORD=(4 335 Al 337 Br)
+M  V30 337 K 17.75 -20.75 0.0 0 CLASS=AA SEQID=337 ATTCHORD=(4 336 Al 338 Br)
+M  V30 338 T 19.25 -20.75 0.0 0 CLASS=AA SEQID=338 ATTCHORD=(4 337 Al 339 Br)
+M  V30 339 I 20.75 -20.75 0.0 0 CLASS=AA SEQID=339 ATTCHORD=(4 338 Al 340 Br)
+M  V30 340 S 22.25 -20.75 0.0 0 CLASS=AA SEQID=340 ATTCHORD=(4 339 Al 341 Br)
+M  V30 341 K 23.75 -20.75 0.0 0 CLASS=AA SEQID=341 ATTCHORD=(4 340 Al 342 Br)
+M  V30 342 A 25.25 -20.75 0.0 0 CLASS=AA SEQID=342 ATTCHORD=(4 341 Al 343 Br)
+M  V30 343 K 26.75 -20.75 0.0 0 CLASS=AA SEQID=343 ATTCHORD=(4 342 Al 344 Br)
+M  V30 344 G 28.25 -20.75 0.0 0 CLASS=AA SEQID=344 ATTCHORD=(4 343 Al 345 Br)
+M  V30 345 Q 29.75 -20.75 0.0 0 CLASS=AA SEQID=345 ATTCHORD=(4 344 Al 346 Br)
+M  V30 346 P 31.25 -20.75 0.0 0 CLASS=AA SEQID=346 ATTCHORD=(4 345 Al 347 Br)
+M  V30 347 R 32.75 -20.75 0.0 0 CLASS=AA SEQID=347 ATTCHORD=(4 346 Al 348 Br)
+M  V30 348 E 34.25 -20.75 0.0 0 CLASS=AA SEQID=348 ATTCHORD=(4 347 Al 349 Br)
+M  V30 349 P 35.75 -20.75 0.0 0 CLASS=AA SEQID=349 ATTCHORD=(4 348 Al 350 Br)
+M  V30 350 Q 37.25 -20.75 0.0 0 CLASS=AA SEQID=350 ATTCHORD=(4 349 Al 351 Br)
+M  V30 351 V 1.25 -22.25 0.0 0 CLASS=AA SEQID=351 ATTCHORD=(4 350 Al 352 Br)
+M  V30 352 Y 2.75 -22.25 0.0 0 CLASS=AA SEQID=352 ATTCHORD=(4 351 Al 353 Br)
+M  V30 353 T 4.25 -22.25 0.0 0 CLASS=AA SEQID=353 ATTCHORD=(4 352 Al 354 Br)
+M  V30 354 L 5.75 -22.25 0.0 0 CLASS=AA SEQID=354 ATTCHORD=(4 353 Al 355 Br)
+M  V30 355 P 7.25 -22.25 0.0 0 CLASS=AA SEQID=355 ATTCHORD=(4 354 Al 356 Br)
+M  V30 356 P 8.75 -22.25 0.0 0 CLASS=AA SEQID=356 ATTCHORD=(4 355 Al 357 Br)
+M  V30 357 S 10.25 -22.25 0.0 0 CLASS=AA SEQID=357 ATTCHORD=(4 356 Al 358 Br)
+M  V30 358 R 11.75 -22.25 0.0 0 CLASS=AA SEQID=358 ATTCHORD=(4 357 Al 359 Br)
+M  V30 359 E 13.25 -22.25 0.0 0 CLASS=AA SEQID=359 ATTCHORD=(4 358 Al 360 Br)
+M  V30 360 E 14.75 -22.25 0.0 0 CLASS=AA SEQID=360 ATTCHORD=(4 359 Al 361 Br)
+M  V30 361 M 16.25 -22.25 0.0 0 CLASS=AA SEQID=361 ATTCHORD=(4 360 Al 362 Br)
+M  V30 362 T 17.75 -22.25 0.0 0 CLASS=AA SEQID=362 ATTCHORD=(4 361 Al 363 Br)
+M  V30 363 K 19.25 -22.25 0.0 0 CLASS=AA SEQID=363 ATTCHORD=(4 362 Al 364 Br)
+M  V30 364 N 20.75 -22.25 0.0 0 CLASS=AA SEQID=364 ATTCHORD=(4 363 Al 365 Br)
+M  V30 365 Q 22.25 -22.25 0.0 0 CLASS=AA SEQID=365 ATTCHORD=(4 364 Al 366 Br)
+M  V30 366 V 23.75 -22.25 0.0 0 CLASS=AA SEQID=366 ATTCHORD=(4 365 Al 367 Br)
+M  V30 367 S 25.25 -22.25 0.0 0 CLASS=AA SEQID=367 ATTCHORD=(4 366 Al 368 Br)
+M  V30 368 L 26.75 -22.25 0.0 0 CLASS=AA SEQID=368 ATTCHORD=(4 367 Al 369 Br)
+M  V30 369 T 28.25 -22.25 0.0 0 CLASS=AA SEQID=369 ATTCHORD=(4 368 Al 370 Br)
+M  V30 370 C 29.75 -22.25 0.0 0 CLASS=AA SEQID=370 ATTCHORD=(4 369 Al 371 Br)
+M  V30 371 L 31.25 -22.25 0.0 0 CLASS=AA SEQID=371 ATTCHORD=(4 370 Al 372 Br)
+M  V30 372 V 32.75 -22.25 0.0 0 CLASS=AA SEQID=372 ATTCHORD=(4 371 Al 373 Br)
+M  V30 373 K 34.25 -22.25 0.0 0 CLASS=AA SEQID=373 ATTCHORD=(4 372 Al 374 Br)
+M  V30 374 G 35.75 -22.25 0.0 0 CLASS=AA SEQID=374 ATTCHORD=(4 373 Al 375 Br)
+M  V30 375 F 37.25 -22.25 0.0 0 CLASS=AA SEQID=375 ATTCHORD=(4 374 Al 376 Br)
+M  V30 376 Y 1.25 -23.75 0.0 0 CLASS=AA SEQID=376 ATTCHORD=(4 375 Al 377 Br)
+M  V30 377 P 2.75 -23.75 0.0 0 CLASS=AA SEQID=377 ATTCHORD=(4 376 Al 378 Br)
+M  V30 378 S 4.25 -23.75 0.0 0 CLASS=AA SEQID=378 ATTCHORD=(4 377 Al 379 Br)
+M  V30 379 D 5.75 -23.75 0.0 0 CLASS=AA SEQID=379 ATTCHORD=(4 378 Al 380 Br)
+M  V30 380 I 7.25 -23.75 0.0 0 CLASS=AA SEQID=380 ATTCHORD=(4 379 Al 381 Br)
+M  V30 381 A 8.75 -23.75 0.0 0 CLASS=AA SEQID=381 ATTCHORD=(4 380 Al 382 Br)
+M  V30 382 V 10.25 -23.75 0.0 0 CLASS=AA SEQID=382 ATTCHORD=(4 381 Al 383 Br)
+M  V30 383 E 11.75 -23.75 0.0 0 CLASS=AA SEQID=383 ATTCHORD=(4 382 Al 384 Br)
+M  V30 384 W 13.25 -23.75 0.0 0 CLASS=AA SEQID=384 ATTCHORD=(4 383 Al 385 Br)
+M  V30 385 E 14.75 -23.75 0.0 0 CLASS=AA SEQID=385 ATTCHORD=(4 384 Al 386 Br)
+M  V30 386 S 16.25 -23.75 0.0 0 CLASS=AA SEQID=386 ATTCHORD=(4 385 Al 387 Br)
+M  V30 387 N 17.75 -23.75 0.0 0 CLASS=AA SEQID=387 ATTCHORD=(4 386 Al 388 Br)
+M  V30 388 G 19.25 -23.75 0.0 0 CLASS=AA SEQID=388 ATTCHORD=(4 387 Al 389 Br)
+M  V30 389 Q 20.75 -23.75 0.0 0 CLASS=AA SEQID=389 ATTCHORD=(4 388 Al 390 Br)
+M  V30 390 P 22.25 -23.75 0.0 0 CLASS=AA SEQID=390 ATTCHORD=(4 389 Al 391 Br)
+M  V30 391 E 23.75 -23.75 0.0 0 CLASS=AA SEQID=391 ATTCHORD=(4 390 Al 392 Br)
+M  V30 392 N 25.25 -23.75 0.0 0 CLASS=AA SEQID=392 ATTCHORD=(4 391 Al 393 Br)
+M  V30 393 N 26.75 -23.75 0.0 0 CLASS=AA SEQID=393 ATTCHORD=(4 392 Al 394 Br)
+M  V30 394 Y 28.25 -23.75 0.0 0 CLASS=AA SEQID=394 ATTCHORD=(4 393 Al 395 Br)
+M  V30 395 K 29.75 -23.75 0.0 0 CLASS=AA SEQID=395 ATTCHORD=(4 394 Al 396 Br)
+M  V30 396 T 31.25 -23.75 0.0 0 CLASS=AA SEQID=396 ATTCHORD=(4 395 Al 397 Br)
+M  V30 397 T 32.75 -23.75 0.0 0 CLASS=AA SEQID=397 ATTCHORD=(2 396 Al)
+M  V30 398 D 1.25 -25.25 0.0 0 CLASS=AA SEQID=1 ATTCHORD=(2 399 Br)
+M  V30 399 I 2.75 -25.25 0.0 0 CLASS=AA SEQID=2 ATTCHORD=(4 398 Al 400 Br)
+M  V30 400 Q 4.25 -25.25 0.0 0 CLASS=AA SEQID=3 ATTCHORD=(4 399 Al 401 Br)
+M  V30 401 M 5.75 -25.25 0.0 0 CLASS=AA SEQID=4 ATTCHORD=(4 400 Al 402 Br)
+M  V30 402 T 7.25 -25.25 0.0 0 CLASS=AA SEQID=5 ATTCHORD=(4 401 Al 403 Br)
+M  V30 403 Q 8.75 -25.25 0.0 0 CLASS=AA SEQID=6 ATTCHORD=(4 402 Al 404 Br)
+M  V30 404 S 10.25 -25.25 0.0 0 CLASS=AA SEQID=7 ATTCHORD=(4 403 Al 405 Br)
+M  V30 405 P 11.75 -25.25 0.0 0 CLASS=AA SEQID=8 ATTCHORD=(4 404 Al 406 Br)
+M  V30 406 S 13.25 -25.25 0.0 0 CLASS=AA SEQID=9 ATTCHORD=(4 405 Al 407 Br)
+M  V30 407 S 14.75 -25.25 0.0 0 CLASS=AA SEQID=10 ATTCHORD=(4 406 Al 408 Br)
+M  V30 408 L 16.25 -25.25 0.0 0 CLASS=AA SEQID=11 ATTCHORD=(4 407 Al 409 Br)
+M  V30 409 S 17.75 -25.25 0.0 0 CLASS=AA SEQID=12 ATTCHORD=(4 408 Al 410 Br)
+M  V30 410 A 19.25 -25.25 0.0 0 CLASS=AA SEQID=13 ATTCHORD=(4 409 Al 411 Br)
+M  V30 411 S 20.75 -25.25 0.0 0 CLASS=AA SEQID=14 ATTCHORD=(4 410 Al 412 Br)
+M  V30 412 V 22.25 -25.25 0.0 0 CLASS=AA SEQID=15 ATTCHORD=(4 411 Al 413 Br)
+M  V30 413 G 23.75 -25.25 0.0 0 CLASS=AA SEQID=16 ATTCHORD=(4 412 Al 414 Br)
+M  V30 414 D 25.25 -25.25 0.0 0 CLASS=AA SEQID=17 ATTCHORD=(4 413 Al 415 Br)
+M  V30 415 R 26.75 -25.25 0.0 0 CLASS=AA SEQID=18 ATTCHORD=(4 414 Al 416 Br)
+M  V30 416 V 28.25 -25.25 0.0 0 CLASS=AA SEQID=19 ATTCHORD=(4 415 Al 417 Br)
+M  V30 417 T 29.75 -25.25 0.0 0 CLASS=AA SEQID=20 ATTCHORD=(4 416 Al 418 Br)
+M  V30 418 I 31.25 -25.25 0.0 0 CLASS=AA SEQID=21 ATTCHORD=(4 417 Al 419 Br)
+M  V30 419 T 32.75 -25.25 0.0 0 CLASS=AA SEQID=22 ATTCHORD=(4 418 Al 420 Br)
+M  V30 420 C 34.25 -25.25 0.0 0 CLASS=AA SEQID=23 ATTCHORD=(6 419 Al 421 Br 4-
+M  V30 85 Cx)
+M  V30 421 R 35.75 -25.25 0.0 0 CLASS=AA SEQID=24 ATTCHORD=(4 420 Al 422 Br)
+M  V30 422 A 37.25 -25.25 0.0 0 CLASS=AA SEQID=25 ATTCHORD=(4 421 Al 423 Br)
+M  V30 423 S 1.25 -26.75 0.0 0 CLASS=AA SEQID=26 ATTCHORD=(4 422 Al 424 Br)
+M  V30 424 Q 2.75 -26.75 0.0 0 CLASS=AA SEQID=27 ATTCHORD=(4 423 Al 425 Br)
+M  V30 425 D 4.25 -26.75 0.0 0 CLASS=AA SEQID=28 ATTCHORD=(4 424 Al 426 Br)
+M  V30 426 V 5.75 -26.75 0.0 0 CLASS=AA SEQID=29 ATTCHORD=(4 425 Al 427 Br)
+M  V30 427 N 7.25 -26.75 0.0 0 CLASS=AA SEQID=30 ATTCHORD=(4 426 Al 428 Br)
+M  V30 428 T 8.75 -26.75 0.0 0 CLASS=AA SEQID=31 ATTCHORD=(4 427 Al 429 Br)
+M  V30 429 A 10.25 -26.75 0.0 0 CLASS=AA SEQID=32 ATTCHORD=(4 428 Al 430 Br)
+M  V30 430 V 11.75 -26.75 0.0 0 CLASS=AA SEQID=33 ATTCHORD=(4 429 Al 431 Br)
+M  V30 431 A 13.25 -26.75 0.0 0 CLASS=AA SEQID=34 ATTCHORD=(4 430 Al 432 Br)
+M  V30 432 W 14.75 -26.75 0.0 0 CLASS=AA SEQID=35 ATTCHORD=(4 431 Al 433 Br)
+M  V30 433 Y 16.25 -26.75 0.0 0 CLASS=AA SEQID=36 ATTCHORD=(4 432 Al 434 Br)
+M  V30 434 Q 17.75 -26.75 0.0 0 CLASS=AA SEQID=37 ATTCHORD=(4 433 Al 435 Br)
+M  V30 435 Q 19.25 -26.75 0.0 0 CLASS=AA SEQID=38 ATTCHORD=(4 434 Al 436 Br)
+M  V30 436 K 20.75 -26.75 0.0 0 CLASS=AA SEQID=39 ATTCHORD=(4 435 Al 437 Br)
+M  V30 437 P 22.25 -26.75 0.0 0 CLASS=AA SEQID=40 ATTCHORD=(4 436 Al 438 Br)
+M  V30 438 G 23.75 -26.75 0.0 0 CLASS=AA SEQID=41 ATTCHORD=(4 437 Al 439 Br)
+M  V30 439 K 25.25 -26.75 0.0 0 CLASS=AA SEQID=42 ATTCHORD=(4 438 Al 440 Br)
+M  V30 440 A 26.75 -26.75 0.0 0 CLASS=AA SEQID=43 ATTCHORD=(4 439 Al 441 Br)
+M  V30 441 P 28.25 -26.75 0.0 0 CLASS=AA SEQID=44 ATTCHORD=(4 440 Al 442 Br)
+M  V30 442 K 29.75 -26.75 0.0 0 CLASS=AA SEQID=45 ATTCHORD=(4 441 Al 443 Br)
+M  V30 443 L 31.25 -26.75 0.0 0 CLASS=AA SEQID=46 ATTCHORD=(4 442 Al 444 Br)
+M  V30 444 L 32.75 -26.75 0.0 0 CLASS=AA SEQID=47 ATTCHORD=(4 443 Al 445 Br)
+M  V30 445 I 34.25 -26.75 0.0 0 CLASS=AA SEQID=48 ATTCHORD=(4 444 Al 446 Br)
+M  V30 446 Y 35.75 -26.75 0.0 0 CLASS=AA SEQID=49 ATTCHORD=(4 445 Al 447 Br)
+M  V30 447 S 37.25 -26.75 0.0 0 CLASS=AA SEQID=50 ATTCHORD=(4 446 Al 448 Br)
+M  V30 448 A 1.25 -28.25 0.0 0 CLASS=AA SEQID=51 ATTCHORD=(4 447 Al 449 Br)
+M  V30 449 S 2.75 -28.25 0.0 0 CLASS=AA SEQID=52 ATTCHORD=(4 448 Al 450 Br)
+M  V30 450 F 4.25 -28.25 0.0 0 CLASS=AA SEQID=53 ATTCHORD=(4 449 Al 451 Br)
+M  V30 451 L 5.75 -28.25 0.0 0 CLASS=AA SEQID=54 ATTCHORD=(4 450 Al 452 Br)
+M  V30 452 Y 7.25 -28.25 0.0 0 CLASS=AA SEQID=55 ATTCHORD=(4 451 Al 453 Br)
+M  V30 453 S 8.75 -28.25 0.0 0 CLASS=AA SEQID=56 ATTCHORD=(4 452 Al 454 Br)
+M  V30 454 G 10.25 -28.25 0.0 0 CLASS=AA SEQID=57 ATTCHORD=(4 453 Al 455 Br)
+M  V30 455 V 11.75 -28.25 0.0 0 CLASS=AA SEQID=58 ATTCHORD=(4 454 Al 456 Br)
+M  V30 456 P 13.25 -28.25 0.0 0 CLASS=AA SEQID=59 ATTCHORD=(4 455 Al 457 Br)
+M  V30 457 S 14.75 -28.25 0.0 0 CLASS=AA SEQID=60 ATTCHORD=(4 456 Al 458 Br)
+M  V30 458 R 16.25 -28.25 0.0 0 CLASS=AA SEQID=61 ATTCHORD=(4 457 Al 459 Br)
+M  V30 459 F 17.75 -28.25 0.0 0 CLASS=AA SEQID=62 ATTCHORD=(4 458 Al 460 Br)
+M  V30 460 S 19.25 -28.25 0.0 0 CLASS=AA SEQID=63 ATTCHORD=(4 459 Al 461 Br)
+M  V30 461 G 20.75 -28.25 0.0 0 CLASS=AA SEQID=64 ATTCHORD=(4 460 Al 462 Br)
+M  V30 462 S 22.25 -28.25 0.0 0 CLASS=AA SEQID=65 ATTCHORD=(4 461 Al 463 Br)
+M  V30 463 R 23.75 -28.25 0.0 0 CLASS=AA SEQID=66 ATTCHORD=(4 462 Al 464 Br)
+M  V30 464 S 25.25 -28.25 0.0 0 CLASS=AA SEQID=67 ATTCHORD=(4 463 Al 465 Br)
+M  V30 465 G 26.75 -28.25 0.0 0 CLASS=AA SEQID=68 ATTCHORD=(4 464 Al 466 Br)
+M  V30 466 T 28.25 -28.25 0.0 0 CLASS=AA SEQID=69 ATTCHORD=(4 465 Al 467 Br)
+M  V30 467 D 29.75 -28.25 0.0 0 CLASS=AA SEQID=70 ATTCHORD=(4 466 Al 468 Br)
+M  V30 468 F 31.25 -28.25 0.0 0 CLASS=AA SEQID=71 ATTCHORD=(4 467 Al 469 Br)
+M  V30 469 T 32.75 -28.25 0.0 0 CLASS=AA SEQID=72 ATTCHORD=(4 468 Al 470 Br)
+M  V30 470 L 34.25 -28.25 0.0 0 CLASS=AA SEQID=73 ATTCHORD=(4 469 Al 471 Br)
+M  V30 471 T 35.75 -28.25 0.0 0 CLASS=AA SEQID=74 ATTCHORD=(4 470 Al 472 Br)
+M  V30 472 I 37.25 -28.25 0.0 0 CLASS=AA SEQID=75 ATTCHORD=(4 471 Al 473 Br)
+M  V30 473 S 1.25 -29.75 0.0 0 CLASS=AA SEQID=76 ATTCHORD=(4 472 Al 474 Br)
+M  V30 474 S 2.75 -29.75 0.0 0 CLASS=AA SEQID=77 ATTCHORD=(4 473 Al 475 Br)
+M  V30 475 L 4.25 -29.75 0.0 0 CLASS=AA SEQID=78 ATTCHORD=(4 474 Al 476 Br)
+M  V30 476 Q 5.75 -29.75 0.0 0 CLASS=AA SEQID=79 ATTCHORD=(4 475 Al 477 Br)
+M  V30 477 P 7.25 -29.75 0.0 0 CLASS=AA SEQID=80 ATTCHORD=(4 476 Al 478 Br)
+M  V30 478 E 8.75 -29.75 0.0 0 CLASS=AA SEQID=81 ATTCHORD=(4 477 Al 479 Br)
+M  V30 479 D 10.25 -29.75 0.0 0 CLASS=AA SEQID=82 ATTCHORD=(4 478 Al 480 Br)
+M  V30 480 F 11.75 -29.75 0.0 0 CLASS=AA SEQID=83 ATTCHORD=(4 479 Al 481 Br)
+M  V30 481 A 13.25 -29.75 0.0 0 CLASS=AA SEQID=84 ATTCHORD=(4 480 Al 482 Br)
+M  V30 482 T 14.75 -29.75 0.0 0 CLASS=AA SEQID=85 ATTCHORD=(4 481 Al 483 Br)
+M  V30 483 Y 16.25 -29.75 0.0 0 CLASS=AA SEQID=86 ATTCHORD=(4 482 Al 484 Br)
+M  V30 484 Y 17.75 -29.75 0.0 0 CLASS=AA SEQID=87 ATTCHORD=(4 483 Al 485 Br)
+M  V30 485 C 19.25 -29.75 0.0 0 CLASS=AA SEQID=88 ATTCHORD=(6 484 Al 486 Br 4-
+M  V30 20 Cx)
+M  V30 486 Q 20.75 -29.75 0.0 0 CLASS=AA SEQID=89 ATTCHORD=(4 485 Al 487 Br)
+M  V30 487 Q 22.25 -29.75 0.0 0 CLASS=AA SEQID=90 ATTCHORD=(4 486 Al 488 Br)
+M  V30 488 H 23.75 -29.75 0.0 0 CLASS=AA SEQID=91 ATTCHORD=(4 487 Al 489 Br)
+M  V30 489 Y 25.25 -29.75 0.0 0 CLASS=AA SEQID=92 ATTCHORD=(4 488 Al 490 Br)
+M  V30 490 T 26.75 -29.75 0.0 0 CLASS=AA SEQID=93 ATTCHORD=(4 489 Al 491 Br)
+M  V30 491 T 28.25 -29.75 0.0 0 CLASS=AA SEQID=94 ATTCHORD=(4 490 Al 492 Br)
+M  V30 492 P 29.75 -29.75 0.0 0 CLASS=AA SEQID=95 ATTCHORD=(4 491 Al 493 Br)
+M  V30 493 P 31.25 -29.75 0.0 0 CLASS=AA SEQID=96 ATTCHORD=(4 492 Al 494 Br)
+M  V30 494 T 32.75 -29.75 0.0 0 CLASS=AA SEQID=97 ATTCHORD=(4 493 Al 495 Br)
+M  V30 495 F 34.25 -29.75 0.0 0 CLASS=AA SEQID=98 ATTCHORD=(4 494 Al 496 Br)
+M  V30 496 G 35.75 -29.75 0.0 0 CLASS=AA SEQID=99 ATTCHORD=(4 495 Al 497 Br)
+M  V30 497 Q 37.25 -29.75 0.0 0 CLASS=AA SEQID=100 ATTCHORD=(4 496 Al 498 Br)
+M  V30 498 G 1.25 -31.25 0.0 0 CLASS=AA SEQID=101 ATTCHORD=(4 497 Al 499 Br)
+M  V30 499 T 2.75 -31.25 0.0 0 CLASS=AA SEQID=102 ATTCHORD=(4 498 Al 500 Br)
+M  V30 500 K 4.25 -31.25 0.0 0 CLASS=AA SEQID=103 ATTCHORD=(4 499 Al 501 Br)
+M  V30 501 V 5.75 -31.25 0.0 0 CLASS=AA SEQID=104 ATTCHORD=(4 500 Al 502 Br)
+M  V30 502 E 7.25 -31.25 0.0 0 CLASS=AA SEQID=105 ATTCHORD=(4 501 Al 503 Br)
+M  V30 503 I 8.75 -31.25 0.0 0 CLASS=AA SEQID=106 ATTCHORD=(4 502 Al 504 Br)
+M  V30 504 K 10.25 -31.25 0.0 0 CLASS=AA SEQID=107 ATTCHORD=(4 503 Al 505 Br)
+M  V30 505 R 11.75 -31.25 0.0 0 CLASS=AA SEQID=108 ATTCHORD=(4 504 Al 506 Br)
+M  V30 506 T 13.25 -31.25 0.0 0 CLASS=AA SEQID=109 ATTCHORD=(4 505 Al 507 Br)
+M  V30 507 V 14.75 -31.25 0.0 0 CLASS=AA SEQID=110 ATTCHORD=(4 506 Al 508 Br)
+M  V30 508 A 16.25 -31.25 0.0 0 CLASS=AA SEQID=111 ATTCHORD=(4 507 Al 509 Br)
+M  V30 509 A 17.75 -31.25 0.0 0 CLASS=AA SEQID=112 ATTCHORD=(4 508 Al 510 Br)
+M  V30 510 P 19.25 -31.25 0.0 0 CLASS=AA SEQID=113 ATTCHORD=(4 509 Al 511 Br)
+M  V30 511 S 20.75 -31.25 0.0 0 CLASS=AA SEQID=114 ATTCHORD=(4 510 Al 512 Br)
+M  V30 512 V 22.25 -31.25 0.0 0 CLASS=AA SEQID=115 ATTCHORD=(4 511 Al 513 Br)
+M  V30 513 F 23.75 -31.25 0.0 0 CLASS=AA SEQID=116 ATTCHORD=(4 512 Al 514 Br)
+M  V30 514 I 25.25 -31.25 0.0 0 CLASS=AA SEQID=117 ATTCHORD=(4 513 Al 515 Br)
+M  V30 515 F 26.75 -31.25 0.0 0 CLASS=AA SEQID=118 ATTCHORD=(4 514 Al 516 Br)
+M  V30 516 P 28.25 -31.25 0.0 0 CLASS=AA SEQID=119 ATTCHORD=(4 515 Al 517 Br)
+M  V30 517 P 29.75 -31.25 0.0 0 CLASS=AA SEQID=120 ATTCHORD=(4 516 Al 518 Br)
+M  V30 518 S 31.25 -31.25 0.0 0 CLASS=AA SEQID=121 ATTCHORD=(4 517 Al 519 Br)
+M  V30 519 D 32.75 -31.25 0.0 0 CLASS=AA SEQID=122 ATTCHORD=(4 518 Al 520 Br)
+M  V30 520 E 34.25 -31.25 0.0 0 CLASS=AA SEQID=123 ATTCHORD=(4 519 Al 521 Br)
+M  V30 521 Q 35.75 -31.25 0.0 0 CLASS=AA SEQID=124 ATTCHORD=(4 520 Al 522 Br)
+M  V30 522 L 37.25 -31.25 0.0 0 CLASS=AA SEQID=125 ATTCHORD=(4 521 Al 523 Br)
+M  V30 523 K 1.25 -32.75 0.0 0 CLASS=AA SEQID=126 ATTCHORD=(4 522 Al 524 Br)
+M  V30 524 S 2.75 -32.75 0.0 0 CLASS=AA SEQID=127 ATTCHORD=(4 523 Al 525 Br)
+M  V30 525 G 4.25 -32.75 0.0 0 CLASS=AA SEQID=128 ATTCHORD=(4 524 Al 526 Br)
+M  V30 526 T 5.75 -32.75 0.0 0 CLASS=AA SEQID=129 ATTCHORD=(4 525 Al 527 Br)
+M  V30 527 A 7.25 -32.75 0.0 0 CLASS=AA SEQID=130 ATTCHORD=(4 526 Al 528 Br)
+M  V30 528 S 8.75 -32.75 0.0 0 CLASS=AA SEQID=131 ATTCHORD=(4 527 Al 529 Br)
+M  V30 529 V 10.25 -32.75 0.0 0 CLASS=AA SEQID=132 ATTCHORD=(4 528 Al 530 Br)
+M  V30 530 V 11.75 -32.75 0.0 0 CLASS=AA SEQID=133 ATTCHORD=(4 529 Al 531 Br)
+M  V30 531 C 13.25 -32.75 0.0 0 CLASS=AA SEQID=134 ATTCHORD=(6 530 Al 532 Br -
+M  V30 591 Cx)
+M  V30 532 L 14.75 -32.75 0.0 0 CLASS=AA SEQID=135 ATTCHORD=(4 531 Al 533 Br)
+M  V30 533 L 16.25 -32.75 0.0 0 CLASS=AA SEQID=136 ATTCHORD=(4 532 Al 534 Br)
+M  V30 534 N 17.75 -32.75 0.0 0 CLASS=AA SEQID=137 ATTCHORD=(4 533 Al 535 Br)
+M  V30 535 N 19.25 -32.75 0.0 0 CLASS=AA SEQID=138 ATTCHORD=(4 534 Al 536 Br)
+M  V30 536 F 20.75 -32.75 0.0 0 CLASS=AA SEQID=139 ATTCHORD=(4 535 Al 537 Br)
+M  V30 537 Y 22.25 -32.75 0.0 0 CLASS=AA SEQID=140 ATTCHORD=(4 536 Al 538 Br)
+M  V30 538 P 23.75 -32.75 0.0 0 CLASS=AA SEQID=141 ATTCHORD=(4 537 Al 539 Br)
+M  V30 539 R 25.25 -32.75 0.0 0 CLASS=AA SEQID=142 ATTCHORD=(4 538 Al 540 Br)
+M  V30 540 E 26.75 -32.75 0.0 0 CLASS=AA SEQID=143 ATTCHORD=(4 539 Al 541 Br)
+M  V30 541 A 28.25 -32.75 0.0 0 CLASS=AA SEQID=144 ATTCHORD=(4 540 Al 542 Br)
+M  V30 542 K 29.75 -32.75 0.0 0 CLASS=AA SEQID=145 ATTCHORD=(4 541 Al 543 Br)
+M  V30 543 V 31.25 -32.75 0.0 0 CLASS=AA SEQID=146 ATTCHORD=(4 542 Al 544 Br)
+M  V30 544 Q 32.75 -32.75 0.0 0 CLASS=AA SEQID=147 ATTCHORD=(4 543 Al 545 Br)
+M  V30 545 W 34.25 -32.75 0.0 0 CLASS=AA SEQID=148 ATTCHORD=(4 544 Al 546 Br)
+M  V30 546 K 35.75 -32.75 0.0 0 CLASS=AA SEQID=149 ATTCHORD=(4 545 Al 547 Br)
+M  V30 547 V 37.25 -32.75 0.0 0 CLASS=AA SEQID=150 ATTCHORD=(4 546 Al 548 Br)
+M  V30 548 D 1.25 -34.25 0.0 0 CLASS=AA SEQID=151 ATTCHORD=(4 547 Al 549 Br)
+M  V30 549 N 2.75 -34.25 0.0 0 CLASS=AA SEQID=152 ATTCHORD=(4 548 Al 550 Br)
+M  V30 550 A 4.25 -34.25 0.0 0 CLASS=AA SEQID=153 ATTCHORD=(4 549 Al 551 Br)
+M  V30 551 L 5.75 -34.25 0.0 0 CLASS=AA SEQID=154 ATTCHORD=(4 550 Al 552 Br)
+M  V30 552 Q 7.25 -34.25 0.0 0 CLASS=AA SEQID=155 ATTCHORD=(4 551 Al 553 Br)
+M  V30 553 S 8.75 -34.25 0.0 0 CLASS=AA SEQID=156 ATTCHORD=(4 552 Al 554 Br)
+M  V30 554 G 10.25 -34.25 0.0 0 CLASS=AA SEQID=157 ATTCHORD=(4 553 Al 555 Br)
+M  V30 555 N 11.75 -34.25 0.0 0 CLASS=AA SEQID=158 ATTCHORD=(4 554 Al 556 Br)
+M  V30 556 S 13.25 -34.25 0.0 0 CLASS=AA SEQID=159 ATTCHORD=(4 555 Al 557 Br)
+M  V30 557 Q 14.75 -34.25 0.0 0 CLASS=AA SEQID=160 ATTCHORD=(4 556 Al 558 Br)
+M  V30 558 E 16.25 -34.25 0.0 0 CLASS=AA SEQID=161 ATTCHORD=(4 557 Al 559 Br)
+M  V30 559 S 17.75 -34.25 0.0 0 CLASS=AA SEQID=162 ATTCHORD=(4 558 Al 560 Br)
+M  V30 560 V 19.25 -34.25 0.0 0 CLASS=AA SEQID=163 ATTCHORD=(4 559 Al 561 Br)
+M  V30 561 T 20.75 -34.25 0.0 0 CLASS=AA SEQID=164 ATTCHORD=(4 560 Al 562 Br)
+M  V30 562 E 22.25 -34.25 0.0 0 CLASS=AA SEQID=165 ATTCHORD=(4 561 Al 563 Br)
+M  V30 563 Q 23.75 -34.25 0.0 0 CLASS=AA SEQID=166 ATTCHORD=(4 562 Al 564 Br)
+M  V30 564 D 25.25 -34.25 0.0 0 CLASS=AA SEQID=167 ATTCHORD=(4 563 Al 565 Br)
+M  V30 565 S 26.75 -34.25 0.0 0 CLASS=AA SEQID=168 ATTCHORD=(4 564 Al 566 Br)
+M  V30 566 K 28.25 -34.25 0.0 0 CLASS=AA SEQID=169 ATTCHORD=(4 565 Al 567 Br)
+M  V30 567 D 29.75 -34.25 0.0 0 CLASS=AA SEQID=170 ATTCHORD=(4 566 Al 568 Br)
+M  V30 568 S 31.25 -34.25 0.0 0 CLASS=AA SEQID=171 ATTCHORD=(4 567 Al 569 Br)
+M  V30 569 T 32.75 -34.25 0.0 0 CLASS=AA SEQID=172 ATTCHORD=(4 568 Al 570 Br)
+M  V30 570 Y 34.25 -34.25 0.0 0 CLASS=AA SEQID=173 ATTCHORD=(4 569 Al 571 Br)
+M  V30 571 S 35.75 -34.25 0.0 0 CLASS=AA SEQID=174 ATTCHORD=(4 570 Al 572 Br)
+M  V30 572 L 37.25 -34.25 0.0 0 CLASS=AA SEQID=175 ATTCHORD=(4 571 Al 573 Br)
+M  V30 573 S 1.25 -35.75 0.0 0 CLASS=AA SEQID=176 ATTCHORD=(4 572 Al 574 Br)
+M  V30 574 S 2.75 -35.75 0.0 0 CLASS=AA SEQID=177 ATTCHORD=(4 573 Al 575 Br)
+M  V30 575 T 4.25 -35.75 0.0 0 CLASS=AA SEQID=178 ATTCHORD=(4 574 Al 576 Br)
+M  V30 576 L 5.75 -35.75 0.0 0 CLASS=AA SEQID=179 ATTCHORD=(4 575 Al 577 Br)
+M  V30 577 T 7.25 -35.75 0.0 0 CLASS=AA SEQID=180 ATTCHORD=(4 576 Al 578 Br)
+M  V30 578 L 8.75 -35.75 0.0 0 CLASS=AA SEQID=181 ATTCHORD=(4 577 Al 579 Br)
+M  V30 579 S 10.25 -35.75 0.0 0 CLASS=AA SEQID=182 ATTCHORD=(4 578 Al 580 Br)
+M  V30 580 K 11.75 -35.75 0.0 0 CLASS=AA SEQID=183 ATTCHORD=(4 579 Al 581 Br)
+M  V30 581 A 13.25 -35.75 0.0 0 CLASS=AA SEQID=184 ATTCHORD=(4 580 Al 582 Br)
+M  V30 582 D 14.75 -35.75 0.0 0 CLASS=AA SEQID=185 ATTCHORD=(4 581 Al 583 Br)
+M  V30 583 Y 16.25 -35.75 0.0 0 CLASS=AA SEQID=186 ATTCHORD=(4 582 Al 584 Br)
+M  V30 584 E 17.75 -35.75 0.0 0 CLASS=AA SEQID=187 ATTCHORD=(4 583 Al 585 Br)
+M  V30 585 K 19.25 -35.75 0.0 0 CLASS=AA SEQID=188 ATTCHORD=(4 584 Al 586 Br)
+M  V30 586 H 20.75 -35.75 0.0 0 CLASS=AA SEQID=189 ATTCHORD=(4 585 Al 587 Br)
+M  V30 587 K 22.25 -35.75 0.0 0 CLASS=AA SEQID=190 ATTCHORD=(4 586 Al 588 Br)
+M  V30 588 V 23.75 -35.75 0.0 0 CLASS=AA SEQID=191 ATTCHORD=(4 587 Al 589 Br)
+M  V30 589 Y 25.25 -35.75 0.0 0 CLASS=AA SEQID=192 ATTCHORD=(4 588 Al 590 Br)
+M  V30 590 A 26.75 -35.75 0.0 0 CLASS=AA SEQID=193 ATTCHORD=(4 589 Al 591 Br)
+M  V30 591 C 28.25 -35.75 0.0 0 CLASS=AA SEQID=194 ATTCHORD=(6 590 Al 592 Br -
+M  V30 531 Cx)
+M  V30 592 E 29.75 -35.75 0.0 0 CLASS=AA SEQID=195 ATTCHORD=(4 591 Al 593 Br)
+M  V30 593 V 31.25 -35.75 0.0 0 CLASS=AA SEQID=196 ATTCHORD=(4 592 Al 594 Br)
+M  V30 594 T 32.75 -35.75 0.0 0 CLASS=AA SEQID=197 ATTCHORD=(4 593 Al 595 Br)
+M  V30 595 H 34.25 -35.75 0.0 0 CLASS=AA SEQID=198 ATTCHORD=(4 594 Al 596 Br)
+M  V30 596 Q 35.75 -35.75 0.0 0 CLASS=AA SEQID=199 ATTCHORD=(4 595 Al 597 Br)
+M  V30 597 G 37.25 -35.75 0.0 0 CLASS=AA SEQID=200 ATTCHORD=(4 596 Al 598 Br)
+M  V30 598 L 1.25 -37.25 0.0 0 CLASS=AA SEQID=201 ATTCHORD=(4 597 Al 599 Br)
+M  V30 599 S 2.75 -37.25 0.0 0 CLASS=AA SEQID=202 ATTCHORD=(4 598 Al 600 Br)
+M  V30 600 S 4.25 -37.25 0.0 0 CLASS=AA SEQID=203 ATTCHORD=(4 599 Al 601 Br)
+M  V30 601 P 5.75 -37.25 0.0 0 CLASS=AA SEQID=204 ATTCHORD=(4 600 Al 602 Br)
+M  V30 602 V 7.25 -37.25 0.0 0 CLASS=AA SEQID=205 ATTCHORD=(4 601 Al 603 Br)
+M  V30 603 T 8.75 -37.25 0.0 0 CLASS=AA SEQID=206 ATTCHORD=(4 602 Al 604 Br)
+M  V30 604 K 10.25 -37.25 0.0 0 CLASS=AA SEQID=207 ATTCHORD=(4 603 Al 605 Br)
+M  V30 605 S 11.75 -37.25 0.0 0 CLASS=AA SEQID=208 ATTCHORD=(4 604 Al 606 Br)
+M  V30 606 F 13.25 -37.25 0.0 0 CLASS=AA SEQID=209 ATTCHORD=(4 605 Al 607 Br)
+M  V30 607 N 14.75 -37.25 0.0 0 CLASS=AA SEQID=210 ATTCHORD=(4 606 Al 608 Br)
+M  V30 608 R 16.25 -37.25 0.0 0 CLASS=AA SEQID=211 ATTCHORD=(4 607 Al 609 Br)
+M  V30 609 G 17.75 -37.25 0.0 0 CLASS=AA SEQID=212 ATTCHORD=(4 608 Al 610 Br)
+M  V30 610 E 19.25 -37.25 0.0 0 CLASS=AA SEQID=213 ATTCHORD=(4 609 Al 611 Br)
+M  V30 611 C 20.75 -37.25 0.0 0 CLASS=AA SEQID=214 ATTCHORD=(4 610 Al 223 Cx)
+M  V30 612 W 31.25 -38.75 0.0 0 CLASS=AA SEQID=21 ATTCHORD=(4 613 Br 910 Al)
+M  V30 613 N 32.75 -38.75 0.0 0 CLASS=AA SEQID=22 ATTCHORD=(4 612 Al 614 Br)
+M  V30 614 S 34.25 -38.75 0.0 0 CLASS=AA SEQID=23 ATTCHORD=(4 613 Al 615 Br)
+M  V30 615 G 35.75 -38.75 0.0 0 CLASS=AA SEQID=24 ATTCHORD=(4 614 Al 616 Br)
+M  V30 616 A 37.25 -38.75 0.0 0 CLASS=AA SEQID=25 ATTCHORD=(4 615 Al 617 Br)
+M  V30 617 L 1.25 -40.25 0.0 0 CLASS=AA SEQID=26 ATTCHORD=(4 616 Al 618 Br)
+M  V30 618 T 2.75 -40.25 0.0 0 CLASS=AA SEQID=27 ATTCHORD=(4 617 Al 619 Br)
+M  V30 619 S 4.25 -40.25 0.0 0 CLASS=AA SEQID=28 ATTCHORD=(4 618 Al 620 Br)
+M  V30 620 G 5.75 -40.25 0.0 0 CLASS=AA SEQID=29 ATTCHORD=(4 619 Al 621 Br)
+M  V30 621 V 7.25 -40.25 0.0 0 CLASS=AA SEQID=30 ATTCHORD=(4 620 Al 622 Br)
+M  V30 622 H 8.75 -40.25 0.0 0 CLASS=AA SEQID=31 ATTCHORD=(4 621 Al 623 Br)
+M  V30 623 T 10.25 -40.25 0.0 0 CLASS=AA SEQID=32 ATTCHORD=(4 622 Al 624 Br)
+M  V30 624 F 11.75 -40.25 0.0 0 CLASS=AA SEQID=33 ATTCHORD=(4 623 Al 625 Br)
+M  V30 625 P 13.25 -40.25 0.0 0 CLASS=AA SEQID=34 ATTCHORD=(4 624 Al 626 Br)
+M  V30 626 A 14.75 -40.25 0.0 0 CLASS=AA SEQID=35 ATTCHORD=(4 625 Al 627 Br)
+M  V30 627 V 16.25 -40.25 0.0 0 CLASS=AA SEQID=36 ATTCHORD=(4 626 Al 628 Br)
+M  V30 628 L 17.75 -40.25 0.0 0 CLASS=AA SEQID=37 ATTCHORD=(4 627 Al 629 Br)
+M  V30 629 Q 19.25 -40.25 0.0 0 CLASS=AA SEQID=38 ATTCHORD=(4 628 Al 630 Br)
+M  V30 630 S 20.75 -40.25 0.0 0 CLASS=AA SEQID=39 ATTCHORD=(4 629 Al 631 Br)
+M  V30 631 S 22.25 -40.25 0.0 0 CLASS=AA SEQID=40 ATTCHORD=(4 630 Al 632 Br)
+M  V30 632 G 23.75 -40.25 0.0 0 CLASS=AA SEQID=41 ATTCHORD=(4 631 Al 633 Br)
+M  V30 633 L 25.25 -40.25 0.0 0 CLASS=AA SEQID=42 ATTCHORD=(4 632 Al 634 Br)
+M  V30 634 Y 26.75 -40.25 0.0 0 CLASS=AA SEQID=43 ATTCHORD=(4 633 Al 635 Br)
+M  V30 635 S 28.25 -40.25 0.0 0 CLASS=AA SEQID=44 ATTCHORD=(4 634 Al 636 Br)
+M  V30 636 L 29.75 -40.25 0.0 0 CLASS=AA SEQID=45 ATTCHORD=(4 635 Al 637 Br)
+M  V30 637 S 31.25 -40.25 0.0 0 CLASS=AA SEQID=46 ATTCHORD=(4 636 Al 638 Br)
+M  V30 638 S 32.75 -40.25 0.0 0 CLASS=AA SEQID=47 ATTCHORD=(4 637 Al 639 Br)
+M  V30 639 V 34.25 -40.25 0.0 0 CLASS=AA SEQID=48 ATTCHORD=(4 638 Al 640 Br)
+M  V30 640 V 35.75 -40.25 0.0 0 CLASS=AA SEQID=49 ATTCHORD=(4 639 Al 641 Br)
+M  V30 641 T 37.25 -40.25 0.0 0 CLASS=AA SEQID=50 ATTCHORD=(4 640 Al 642 Br)
+M  V30 642 V 1.25 -41.75 0.0 0 CLASS=AA SEQID=51 ATTCHORD=(4 641 Al 643 Br)
+M  V30 643 P 2.75 -41.75 0.0 0 CLASS=AA SEQID=52 ATTCHORD=(4 642 Al 644 Br)
+M  V30 644 S 4.25 -41.75 0.0 0 CLASS=AA SEQID=53 ATTCHORD=(4 643 Al 645 Br)
+M  V30 645 S 5.75 -41.75 0.0 0 CLASS=AA SEQID=54 ATTCHORD=(4 644 Al 646 Br)
+M  V30 646 S 7.25 -41.75 0.0 0 CLASS=AA SEQID=55 ATTCHORD=(4 645 Al 647 Br)
+M  V30 647 L 8.75 -41.75 0.0 0 CLASS=AA SEQID=56 ATTCHORD=(4 646 Al 648 Br)
+M  V30 648 G 10.25 -41.75 0.0 0 CLASS=AA SEQID=57 ATTCHORD=(4 647 Al 649 Br)
+M  V30 649 T 11.75 -41.75 0.0 0 CLASS=AA SEQID=58 ATTCHORD=(4 648 Al 650 Br)
+M  V30 650 Q 13.25 -41.75 0.0 0 CLASS=AA SEQID=59 ATTCHORD=(4 649 Al 651 Br)
+M  V30 651 T 14.75 -41.75 0.0 0 CLASS=AA SEQID=60 ATTCHORD=(4 650 Al 652 Br)
+M  V30 652 Y 16.25 -41.75 0.0 0 CLASS=AA SEQID=61 ATTCHORD=(4 651 Al 653 Br)
+M  V30 653 I 17.75 -41.75 0.0 0 CLASS=AA SEQID=62 ATTCHORD=(4 652 Al 654 Br)
+M  V30 654 C 19.25 -41.75 0.0 0 CLASS=AA SEQID=63 ATTCHORD=(6 653 Al 655 Br 9-
+M  V30 17 Cx)
+M  V30 655 N 20.75 -41.75 0.0 0 CLASS=AA SEQID=64 ATTCHORD=(4 654 Al 656 Br)
+M  V30 656 V 22.25 -41.75 0.0 0 CLASS=AA SEQID=65 ATTCHORD=(4 655 Al 657 Br)
+M  V30 657 N 23.75 -41.75 0.0 0 CLASS=AA SEQID=66 ATTCHORD=(4 656 Al 658 Br)
+M  V30 658 H 25.25 -41.75 0.0 0 CLASS=AA SEQID=67 ATTCHORD=(4 657 Al 659 Br)
+M  V30 659 K 26.75 -41.75 0.0 0 CLASS=AA SEQID=68 ATTCHORD=(4 658 Al 660 Br)
+M  V30 660 P 28.25 -41.75 0.0 0 CLASS=AA SEQID=69 ATTCHORD=(4 659 Al 661 Br)
+M  V30 661 S 29.75 -41.75 0.0 0 CLASS=AA SEQID=70 ATTCHORD=(4 660 Al 662 Br)
+M  V30 662 N 31.25 -41.75 0.0 0 CLASS=AA SEQID=71 ATTCHORD=(4 661 Al 663 Br)
+M  V30 663 T 32.75 -41.75 0.0 0 CLASS=AA SEQID=72 ATTCHORD=(4 662 Al 664 Br)
+M  V30 664 K 34.25 -41.75 0.0 0 CLASS=AA SEQID=73 ATTCHORD=(4 663 Al 665 Br)
+M  V30 665 V 35.75 -41.75 0.0 0 CLASS=AA SEQID=74 ATTCHORD=(4 664 Al 666 Br)
+M  V30 666 D 37.25 -41.75 0.0 0 CLASS=AA SEQID=75 ATTCHORD=(4 665 Al 667 Br)
+M  V30 667 K 1.25 -43.25 0.0 0 CLASS=AA SEQID=76 ATTCHORD=(4 666 Al 668 Br)
+M  V30 668 K 2.75 -43.25 0.0 0 CLASS=AA SEQID=77 ATTCHORD=(4 667 Al 669 Br)
+M  V30 669 V 4.25 -43.25 0.0 0 CLASS=AA SEQID=78 ATTCHORD=(4 668 Al 670 Br)
+M  V30 670 E 5.75 -43.25 0.0 0 CLASS=AA SEQID=79 ATTCHORD=(4 669 Al 671 Br)
+M  V30 671 P 7.25 -43.25 0.0 0 CLASS=AA SEQID=80 ATTCHORD=(4 670 Al 672 Br)
+M  V30 672 K 8.75 -43.25 0.0 0 CLASS=AA SEQID=81 ATTCHORD=(4 671 Al 673 Br)
+M  V30 673 S 10.25 -43.25 0.0 0 CLASS=AA SEQID=82 ATTCHORD=(4 672 Al 674 Br)
+M  V30 674 C 11.75 -43.25 0.0 0 CLASS=AA SEQID=83 ATTCHORD=(6 673 Al 675 Br 9-
+M  V30 00 Cx)
+M  V30 675 D 13.25 -43.25 0.0 0 CLASS=AA SEQID=84 ATTCHORD=(4 674 Al 676 Br)
+M  V30 676 K 14.75 -43.25 0.0 0 CLASS=AA SEQID=85 ATTCHORD=(4 675 Al 677 Br)
+M  V30 677 T 16.25 -43.25 0.0 0 CLASS=AA SEQID=86 ATTCHORD=(4 676 Al 678 Br)
+M  V30 678 H 17.75 -43.25 0.0 0 CLASS=AA SEQID=87 ATTCHORD=(4 677 Al 679 Br)
+M  V30 679 T 19.25 -43.25 0.0 0 CLASS=AA SEQID=88 ATTCHORD=(4 678 Al 680 Br)
+M  V30 680 C 20.75 -43.25 0.0 0 CLASS=AA SEQID=89 ATTCHORD=(6 679 Al 681 Br 2-
+M  V30 29 Cx)
+M  V30 681 P 22.25 -43.25 0.0 0 CLASS=AA SEQID=90 ATTCHORD=(4 680 Al 682 Br)
+M  V30 682 P 23.75 -43.25 0.0 0 CLASS=AA SEQID=91 ATTCHORD=(4 681 Al 683 Br)
+M  V30 683 C 25.25 -43.25 0.0 0 CLASS=AA SEQID=92 ATTCHORD=(6 682 Al 684 Br 2-
+M  V30 32 Cx)
+M  V30 684 P 26.75 -43.25 0.0 0 CLASS=AA SEQID=93 ATTCHORD=(4 683 Al 685 Br)
+M  V30 685 A 28.25 -43.25 0.0 0 CLASS=AA SEQID=94 ATTCHORD=(4 684 Al 686 Br)
+M  V30 686 P 29.75 -43.25 0.0 0 CLASS=AA SEQID=95 ATTCHORD=(4 685 Al 921 Br)
+M  V30 687 D 1.25 -44.75 0.0 0 CLASS=AA SEQID=1 ATTCHORD=(2 688 Br)
+M  V30 688 I 2.75 -44.75 0.0 0 CLASS=AA SEQID=2 ATTCHORD=(4 687 Al 689 Br)
+M  V30 689 Q 4.25 -44.75 0.0 0 CLASS=AA SEQID=3 ATTCHORD=(4 688 Al 690 Br)
+M  V30 690 M 5.75 -44.75 0.0 0 CLASS=AA SEQID=4 ATTCHORD=(4 689 Al 691 Br)
+M  V30 691 T 7.25 -44.75 0.0 0 CLASS=AA SEQID=5 ATTCHORD=(4 690 Al 692 Br)
+M  V30 692 Q 8.75 -44.75 0.0 0 CLASS=AA SEQID=6 ATTCHORD=(4 691 Al 693 Br)
+M  V30 693 S 10.25 -44.75 0.0 0 CLASS=AA SEQID=7 ATTCHORD=(4 692 Al 694 Br)
+M  V30 694 P 11.75 -44.75 0.0 0 CLASS=AA SEQID=8 ATTCHORD=(4 693 Al 695 Br)
+M  V30 695 S 13.25 -44.75 0.0 0 CLASS=AA SEQID=9 ATTCHORD=(4 694 Al 696 Br)
+M  V30 696 S 14.75 -44.75 0.0 0 CLASS=AA SEQID=10 ATTCHORD=(4 695 Al 697 Br)
+M  V30 697 L 16.25 -44.75 0.0 0 CLASS=AA SEQID=11 ATTCHORD=(4 696 Al 698 Br)
+M  V30 698 S 17.75 -44.75 0.0 0 CLASS=AA SEQID=12 ATTCHORD=(4 697 Al 699 Br)
+M  V30 699 A 19.25 -44.75 0.0 0 CLASS=AA SEQID=13 ATTCHORD=(4 698 Al 700 Br)
+M  V30 700 S 20.75 -44.75 0.0 0 CLASS=AA SEQID=14 ATTCHORD=(4 699 Al 701 Br)
+M  V30 701 V 22.25 -44.75 0.0 0 CLASS=AA SEQID=15 ATTCHORD=(4 700 Al 702 Br)
+M  V30 702 G 23.75 -44.75 0.0 0 CLASS=AA SEQID=16 ATTCHORD=(4 701 Al 703 Br)
+M  V30 703 D 25.25 -44.75 0.0 0 CLASS=AA SEQID=17 ATTCHORD=(4 702 Al 704 Br)
+M  V30 704 R 26.75 -44.75 0.0 0 CLASS=AA SEQID=18 ATTCHORD=(4 703 Al 705 Br)
+M  V30 705 V 28.25 -44.75 0.0 0 CLASS=AA SEQID=19 ATTCHORD=(4 704 Al 706 Br)
+M  V30 706 T 29.75 -44.75 0.0 0 CLASS=AA SEQID=20 ATTCHORD=(4 705 Al 707 Br)
+M  V30 707 I 31.25 -44.75 0.0 0 CLASS=AA SEQID=21 ATTCHORD=(4 706 Al 708 Br)
+M  V30 708 T 32.75 -44.75 0.0 0 CLASS=AA SEQID=22 ATTCHORD=(4 707 Al 709 Br)
+M  V30 709 C 34.25 -44.75 0.0 0 CLASS=AA SEQID=23 ATTCHORD=(6 708 Al 710 Br 7-
+M  V30 74 Cx)
+M  V30 710 R 35.75 -44.75 0.0 0 CLASS=AA SEQID=24 ATTCHORD=(4 709 Al 711 Br)
+M  V30 711 A 37.25 -44.75 0.0 0 CLASS=AA SEQID=25 ATTCHORD=(4 710 Al 712 Br)
+M  V30 712 S 1.25 -46.25 0.0 0 CLASS=AA SEQID=26 ATTCHORD=(4 711 Al 713 Br)
+M  V30 713 Q 2.75 -46.25 0.0 0 CLASS=AA SEQID=27 ATTCHORD=(4 712 Al 714 Br)
+M  V30 714 D 4.25 -46.25 0.0 0 CLASS=AA SEQID=28 ATTCHORD=(4 713 Al 715 Br)
+M  V30 715 V 5.75 -46.25 0.0 0 CLASS=AA SEQID=29 ATTCHORD=(4 714 Al 716 Br)
+M  V30 716 N 7.25 -46.25 0.0 0 CLASS=AA SEQID=30 ATTCHORD=(4 715 Al 717 Br)
+M  V30 717 T 8.75 -46.25 0.0 0 CLASS=AA SEQID=31 ATTCHORD=(4 716 Al 718 Br)
+M  V30 718 A 10.25 -46.25 0.0 0 CLASS=AA SEQID=32 ATTCHORD=(4 717 Al 719 Br)
+M  V30 719 V 11.75 -46.25 0.0 0 CLASS=AA SEQID=33 ATTCHORD=(4 718 Al 720 Br)
+M  V30 720 A 13.25 -46.25 0.0 0 CLASS=AA SEQID=34 ATTCHORD=(4 719 Al 721 Br)
+M  V30 721 W 14.75 -46.25 0.0 0 CLASS=AA SEQID=35 ATTCHORD=(4 720 Al 722 Br)
+M  V30 722 Y 16.25 -46.25 0.0 0 CLASS=AA SEQID=36 ATTCHORD=(4 721 Al 723 Br)
+M  V30 723 Q 17.75 -46.25 0.0 0 CLASS=AA SEQID=37 ATTCHORD=(4 722 Al 724 Br)
+M  V30 724 Q 19.25 -46.25 0.0 0 CLASS=AA SEQID=38 ATTCHORD=(4 723 Al 725 Br)
+M  V30 725 K 20.75 -46.25 0.0 0 CLASS=AA SEQID=39 ATTCHORD=(4 724 Al 726 Br)
+M  V30 726 P 22.25 -46.25 0.0 0 CLASS=AA SEQID=40 ATTCHORD=(4 725 Al 727 Br)
+M  V30 727 G 23.75 -46.25 0.0 0 CLASS=AA SEQID=41 ATTCHORD=(4 726 Al 728 Br)
+M  V30 728 K 25.25 -46.25 0.0 0 CLASS=AA SEQID=42 ATTCHORD=(4 727 Al 729 Br)
+M  V30 729 A 26.75 -46.25 0.0 0 CLASS=AA SEQID=43 ATTCHORD=(4 728 Al 730 Br)
+M  V30 730 P 28.25 -46.25 0.0 0 CLASS=AA SEQID=44 ATTCHORD=(4 729 Al 731 Br)
+M  V30 731 K 29.75 -46.25 0.0 0 CLASS=AA SEQID=45 ATTCHORD=(4 730 Al 732 Br)
+M  V30 732 L 31.25 -46.25 0.0 0 CLASS=AA SEQID=46 ATTCHORD=(4 731 Al 733 Br)
+M  V30 733 L 32.75 -46.25 0.0 0 CLASS=AA SEQID=47 ATTCHORD=(4 732 Al 734 Br)
+M  V30 734 I 34.25 -46.25 0.0 0 CLASS=AA SEQID=48 ATTCHORD=(4 733 Al 735 Br)
+M  V30 735 Y 35.75 -46.25 0.0 0 CLASS=AA SEQID=49 ATTCHORD=(4 734 Al 736 Br)
+M  V30 736 S 37.25 -46.25 0.0 0 CLASS=AA SEQID=50 ATTCHORD=(4 735 Al 737 Br)
+M  V30 737 A 1.25 -47.75 0.0 0 CLASS=AA SEQID=51 ATTCHORD=(4 736 Al 738 Br)
+M  V30 738 S 2.75 -47.75 0.0 0 CLASS=AA SEQID=52 ATTCHORD=(4 737 Al 739 Br)
+M  V30 739 F 4.25 -47.75 0.0 0 CLASS=AA SEQID=53 ATTCHORD=(4 738 Al 740 Br)
+M  V30 740 L 5.75 -47.75 0.0 0 CLASS=AA SEQID=54 ATTCHORD=(4 739 Al 741 Br)
+M  V30 741 Y 7.25 -47.75 0.0 0 CLASS=AA SEQID=55 ATTCHORD=(4 740 Al 742 Br)
+M  V30 742 S 8.75 -47.75 0.0 0 CLASS=AA SEQID=56 ATTCHORD=(4 741 Al 743 Br)
+M  V30 743 G 10.25 -47.75 0.0 0 CLASS=AA SEQID=57 ATTCHORD=(4 742 Al 744 Br)
+M  V30 744 V 11.75 -47.75 0.0 0 CLASS=AA SEQID=58 ATTCHORD=(4 743 Al 745 Br)
+M  V30 745 P 13.25 -47.75 0.0 0 CLASS=AA SEQID=59 ATTCHORD=(4 744 Al 746 Br)
+M  V30 746 S 14.75 -47.75 0.0 0 CLASS=AA SEQID=60 ATTCHORD=(4 745 Al 747 Br)
+M  V30 747 R 16.25 -47.75 0.0 0 CLASS=AA SEQID=61 ATTCHORD=(4 746 Al 748 Br)
+M  V30 748 F 17.75 -47.75 0.0 0 CLASS=AA SEQID=62 ATTCHORD=(4 747 Al 749 Br)
+M  V30 749 S 19.25 -47.75 0.0 0 CLASS=AA SEQID=63 ATTCHORD=(4 748 Al 750 Br)
+M  V30 750 G 20.75 -47.75 0.0 0 CLASS=AA SEQID=64 ATTCHORD=(4 749 Al 751 Br)
+M  V30 751 S 22.25 -47.75 0.0 0 CLASS=AA SEQID=65 ATTCHORD=(4 750 Al 752 Br)
+M  V30 752 R 23.75 -47.75 0.0 0 CLASS=AA SEQID=66 ATTCHORD=(4 751 Al 753 Br)
+M  V30 753 S 25.25 -47.75 0.0 0 CLASS=AA SEQID=67 ATTCHORD=(4 752 Al 754 Br)
+M  V30 754 G 26.75 -47.75 0.0 0 CLASS=AA SEQID=68 ATTCHORD=(4 753 Al 755 Br)
+M  V30 755 T 28.25 -47.75 0.0 0 CLASS=AA SEQID=69 ATTCHORD=(4 754 Al 756 Br)
+M  V30 756 D 29.75 -47.75 0.0 0 CLASS=AA SEQID=70 ATTCHORD=(4 755 Al 757 Br)
+M  V30 757 F 31.25 -47.75 0.0 0 CLASS=AA SEQID=71 ATTCHORD=(4 756 Al 758 Br)
+M  V30 758 T 32.75 -47.75 0.0 0 CLASS=AA SEQID=72 ATTCHORD=(4 757 Al 759 Br)
+M  V30 759 L 34.25 -47.75 0.0 0 CLASS=AA SEQID=73 ATTCHORD=(4 758 Al 760 Br)
+M  V30 760 T 35.75 -47.75 0.0 0 CLASS=AA SEQID=74 ATTCHORD=(4 759 Al 761 Br)
+M  V30 761 I 37.25 -47.75 0.0 0 CLASS=AA SEQID=75 ATTCHORD=(4 760 Al 762 Br)
+M  V30 762 S 1.25 -49.25 0.0 0 CLASS=AA SEQID=76 ATTCHORD=(4 761 Al 763 Br)
+M  V30 763 S 2.75 -49.25 0.0 0 CLASS=AA SEQID=77 ATTCHORD=(4 762 Al 764 Br)
+M  V30 764 L 4.25 -49.25 0.0 0 CLASS=AA SEQID=78 ATTCHORD=(4 763 Al 765 Br)
+M  V30 765 Q 5.75 -49.25 0.0 0 CLASS=AA SEQID=79 ATTCHORD=(4 764 Al 766 Br)
+M  V30 766 P 7.25 -49.25 0.0 0 CLASS=AA SEQID=80 ATTCHORD=(4 765 Al 767 Br)
+M  V30 767 E 8.75 -49.25 0.0 0 CLASS=AA SEQID=81 ATTCHORD=(4 766 Al 768 Br)
+M  V30 768 D 10.25 -49.25 0.0 0 CLASS=AA SEQID=82 ATTCHORD=(4 767 Al 769 Br)
+M  V30 769 F 11.75 -49.25 0.0 0 CLASS=AA SEQID=83 ATTCHORD=(4 768 Al 770 Br)
+M  V30 770 A 13.25 -49.25 0.0 0 CLASS=AA SEQID=84 ATTCHORD=(4 769 Al 771 Br)
+M  V30 771 T 14.75 -49.25 0.0 0 CLASS=AA SEQID=85 ATTCHORD=(4 770 Al 772 Br)
+M  V30 772 Y 16.25 -49.25 0.0 0 CLASS=AA SEQID=86 ATTCHORD=(4 771 Al 773 Br)
+M  V30 773 Y 17.75 -49.25 0.0 0 CLASS=AA SEQID=87 ATTCHORD=(4 772 Al 774 Br)
+M  V30 774 C 19.25 -49.25 0.0 0 CLASS=AA SEQID=88 ATTCHORD=(6 773 Al 775 Br 7-
+M  V30 09 Cx)
+M  V30 775 Q 20.75 -49.25 0.0 0 CLASS=AA SEQID=89 ATTCHORD=(4 774 Al 776 Br)
+M  V30 776 Q 22.25 -49.25 0.0 0 CLASS=AA SEQID=90 ATTCHORD=(4 775 Al 777 Br)
+M  V30 777 H 23.75 -49.25 0.0 0 CLASS=AA SEQID=91 ATTCHORD=(4 776 Al 778 Br)
+M  V30 778 Y 25.25 -49.25 0.0 0 CLASS=AA SEQID=92 ATTCHORD=(4 777 Al 779 Br)
+M  V30 779 T 26.75 -49.25 0.0 0 CLASS=AA SEQID=93 ATTCHORD=(4 778 Al 780 Br)
+M  V30 780 T 28.25 -49.25 0.0 0 CLASS=AA SEQID=94 ATTCHORD=(4 779 Al 781 Br)
+M  V30 781 P 29.75 -49.25 0.0 0 CLASS=AA SEQID=95 ATTCHORD=(4 780 Al 782 Br)
+M  V30 782 P 31.25 -49.25 0.0 0 CLASS=AA SEQID=96 ATTCHORD=(4 781 Al 783 Br)
+M  V30 783 T 32.75 -49.25 0.0 0 CLASS=AA SEQID=97 ATTCHORD=(4 782 Al 784 Br)
+M  V30 784 F 34.25 -49.25 0.0 0 CLASS=AA SEQID=98 ATTCHORD=(4 783 Al 785 Br)
+M  V30 785 G 35.75 -49.25 0.0 0 CLASS=AA SEQID=99 ATTCHORD=(4 784 Al 786 Br)
+M  V30 786 Q 37.25 -49.25 0.0 0 CLASS=AA SEQID=100 ATTCHORD=(4 785 Al 787 Br)
+M  V30 787 G 1.25 -50.75 0.0 0 CLASS=AA SEQID=101 ATTCHORD=(4 786 Al 788 Br)
+M  V30 788 T 2.75 -50.75 0.0 0 CLASS=AA SEQID=102 ATTCHORD=(4 787 Al 789 Br)
+M  V30 789 K 4.25 -50.75 0.0 0 CLASS=AA SEQID=103 ATTCHORD=(4 788 Al 790 Br)
+M  V30 790 V 5.75 -50.75 0.0 0 CLASS=AA SEQID=104 ATTCHORD=(4 789 Al 791 Br)
+M  V30 791 E 7.25 -50.75 0.0 0 CLASS=AA SEQID=105 ATTCHORD=(4 790 Al 792 Br)
+M  V30 792 I 8.75 -50.75 0.0 0 CLASS=AA SEQID=106 ATTCHORD=(4 791 Al 793 Br)
+M  V30 793 K 10.25 -50.75 0.0 0 CLASS=AA SEQID=107 ATTCHORD=(4 792 Al 794 Br)
+M  V30 794 R 11.75 -50.75 0.0 0 CLASS=AA SEQID=108 ATTCHORD=(4 793 Al 795 Br)
+M  V30 795 T 13.25 -50.75 0.0 0 CLASS=AA SEQID=109 ATTCHORD=(4 794 Al 796 Br)
+M  V30 796 V 14.75 -50.75 0.0 0 CLASS=AA SEQID=110 ATTCHORD=(4 795 Al 797 Br)
+M  V30 797 A 16.25 -50.75 0.0 0 CLASS=AA SEQID=111 ATTCHORD=(4 796 Al 798 Br)
+M  V30 798 A 17.75 -50.75 0.0 0 CLASS=AA SEQID=112 ATTCHORD=(4 797 Al 799 Br)
+M  V30 799 P 19.25 -50.75 0.0 0 CLASS=AA SEQID=113 ATTCHORD=(4 798 Al 800 Br)
+M  V30 800 S 20.75 -50.75 0.0 0 CLASS=AA SEQID=114 ATTCHORD=(4 799 Al 801 Br)
+M  V30 801 V 22.25 -50.75 0.0 0 CLASS=AA SEQID=115 ATTCHORD=(4 800 Al 802 Br)
+M  V30 802 F 23.75 -50.75 0.0 0 CLASS=AA SEQID=116 ATTCHORD=(4 801 Al 803 Br)
+M  V30 803 I 25.25 -50.75 0.0 0 CLASS=AA SEQID=117 ATTCHORD=(4 802 Al 804 Br)
+M  V30 804 F 26.75 -50.75 0.0 0 CLASS=AA SEQID=118 ATTCHORD=(4 803 Al 805 Br)
+M  V30 805 P 28.25 -50.75 0.0 0 CLASS=AA SEQID=119 ATTCHORD=(4 804 Al 806 Br)
+M  V30 806 P 29.75 -50.75 0.0 0 CLASS=AA SEQID=120 ATTCHORD=(4 805 Al 807 Br)
+M  V30 807 S 31.25 -50.75 0.0 0 CLASS=AA SEQID=121 ATTCHORD=(4 806 Al 808 Br)
+M  V30 808 D 32.75 -50.75 0.0 0 CLASS=AA SEQID=122 ATTCHORD=(4 807 Al 809 Br)
+M  V30 809 E 34.25 -50.75 0.0 0 CLASS=AA SEQID=123 ATTCHORD=(4 808 Al 810 Br)
+M  V30 810 Q 35.75 -50.75 0.0 0 CLASS=AA SEQID=124 ATTCHORD=(4 809 Al 811 Br)
+M  V30 811 L 37.25 -50.75 0.0 0 CLASS=AA SEQID=125 ATTCHORD=(4 810 Al 812 Br)
+M  V30 812 K 1.25 -52.25 0.0 0 CLASS=AA SEQID=126 ATTCHORD=(4 811 Al 813 Br)
+M  V30 813 S 2.75 -52.25 0.0 0 CLASS=AA SEQID=127 ATTCHORD=(4 812 Al 814 Br)
+M  V30 814 G 4.25 -52.25 0.0 0 CLASS=AA SEQID=128 ATTCHORD=(4 813 Al 815 Br)
+M  V30 815 T 5.75 -52.25 0.0 0 CLASS=AA SEQID=129 ATTCHORD=(4 814 Al 816 Br)
+M  V30 816 A 7.25 -52.25 0.0 0 CLASS=AA SEQID=130 ATTCHORD=(4 815 Al 817 Br)
+M  V30 817 S 8.75 -52.25 0.0 0 CLASS=AA SEQID=131 ATTCHORD=(4 816 Al 818 Br)
+M  V30 818 V 10.25 -52.25 0.0 0 CLASS=AA SEQID=132 ATTCHORD=(4 817 Al 819 Br)
+M  V30 819 V 11.75 -52.25 0.0 0 CLASS=AA SEQID=133 ATTCHORD=(4 818 Al 820 Br)
+M  V30 820 C 13.25 -52.25 0.0 0 CLASS=AA SEQID=134 ATTCHORD=(6 819 Al 821 Br -
+M  V30 880 Cx)
+M  V30 821 L 14.75 -52.25 0.0 0 CLASS=AA SEQID=135 ATTCHORD=(4 820 Al 822 Br)
+M  V30 822 L 16.25 -52.25 0.0 0 CLASS=AA SEQID=136 ATTCHORD=(4 821 Al 823 Br)
+M  V30 823 N 17.75 -52.25 0.0 0 CLASS=AA SEQID=137 ATTCHORD=(4 822 Al 824 Br)
+M  V30 824 N 19.25 -52.25 0.0 0 CLASS=AA SEQID=138 ATTCHORD=(4 823 Al 825 Br)
+M  V30 825 F 20.75 -52.25 0.0 0 CLASS=AA SEQID=139 ATTCHORD=(4 824 Al 826 Br)
+M  V30 826 Y 22.25 -52.25 0.0 0 CLASS=AA SEQID=140 ATTCHORD=(4 825 Al 827 Br)
+M  V30 827 P 23.75 -52.25 0.0 0 CLASS=AA SEQID=141 ATTCHORD=(4 826 Al 828 Br)
+M  V30 828 R 25.25 -52.25 0.0 0 CLASS=AA SEQID=142 ATTCHORD=(4 827 Al 829 Br)
+M  V30 829 E 26.75 -52.25 0.0 0 CLASS=AA SEQID=143 ATTCHORD=(4 828 Al 830 Br)
+M  V30 830 A 28.25 -52.25 0.0 0 CLASS=AA SEQID=144 ATTCHORD=(4 829 Al 831 Br)
+M  V30 831 K 29.75 -52.25 0.0 0 CLASS=AA SEQID=145 ATTCHORD=(4 830 Al 832 Br)
+M  V30 832 V 31.25 -52.25 0.0 0 CLASS=AA SEQID=146 ATTCHORD=(4 831 Al 833 Br)
+M  V30 833 Q 32.75 -52.25 0.0 0 CLASS=AA SEQID=147 ATTCHORD=(4 832 Al 834 Br)
+M  V30 834 W 34.25 -52.25 0.0 0 CLASS=AA SEQID=148 ATTCHORD=(4 833 Al 835 Br)
+M  V30 835 K 35.75 -52.25 0.0 0 CLASS=AA SEQID=149 ATTCHORD=(4 834 Al 836 Br)
+M  V30 836 V 37.25 -52.25 0.0 0 CLASS=AA SEQID=150 ATTCHORD=(4 835 Al 837 Br)
+M  V30 837 D 1.25 -53.75 0.0 0 CLASS=AA SEQID=151 ATTCHORD=(4 836 Al 838 Br)
+M  V30 838 N 2.75 -53.75 0.0 0 CLASS=AA SEQID=152 ATTCHORD=(4 837 Al 839 Br)
+M  V30 839 A 4.25 -53.75 0.0 0 CLASS=AA SEQID=153 ATTCHORD=(4 838 Al 840 Br)
+M  V30 840 L 5.75 -53.75 0.0 0 CLASS=AA SEQID=154 ATTCHORD=(4 839 Al 841 Br)
+M  V30 841 Q 7.25 -53.75 0.0 0 CLASS=AA SEQID=155 ATTCHORD=(4 840 Al 842 Br)
+M  V30 842 S 8.75 -53.75 0.0 0 CLASS=AA SEQID=156 ATTCHORD=(4 841 Al 843 Br)
+M  V30 843 G 10.25 -53.75 0.0 0 CLASS=AA SEQID=157 ATTCHORD=(4 842 Al 844 Br)
+M  V30 844 N 11.75 -53.75 0.0 0 CLASS=AA SEQID=158 ATTCHORD=(4 843 Al 845 Br)
+M  V30 845 S 13.25 -53.75 0.0 0 CLASS=AA SEQID=159 ATTCHORD=(4 844 Al 846 Br)
+M  V30 846 Q 14.75 -53.75 0.0 0 CLASS=AA SEQID=160 ATTCHORD=(4 845 Al 847 Br)
+M  V30 847 E 16.25 -53.75 0.0 0 CLASS=AA SEQID=161 ATTCHORD=(4 846 Al 848 Br)
+M  V30 848 S 17.75 -53.75 0.0 0 CLASS=AA SEQID=162 ATTCHORD=(4 847 Al 849 Br)
+M  V30 849 V 19.25 -53.75 0.0 0 CLASS=AA SEQID=163 ATTCHORD=(4 848 Al 850 Br)
+M  V30 850 T 20.75 -53.75 0.0 0 CLASS=AA SEQID=164 ATTCHORD=(4 849 Al 851 Br)
+M  V30 851 E 22.25 -53.75 0.0 0 CLASS=AA SEQID=165 ATTCHORD=(4 850 Al 852 Br)
+M  V30 852 Q 23.75 -53.75 0.0 0 CLASS=AA SEQID=166 ATTCHORD=(4 851 Al 853 Br)
+M  V30 853 D 25.25 -53.75 0.0 0 CLASS=AA SEQID=167 ATTCHORD=(4 852 Al 854 Br)
+M  V30 854 S 26.75 -53.75 0.0 0 CLASS=AA SEQID=168 ATTCHORD=(4 853 Al 855 Br)
+M  V30 855 K 28.25 -53.75 0.0 0 CLASS=AA SEQID=169 ATTCHORD=(4 854 Al 856 Br)
+M  V30 856 D 29.75 -53.75 0.0 0 CLASS=AA SEQID=170 ATTCHORD=(4 855 Al 857 Br)
+M  V30 857 S 31.25 -53.75 0.0 0 CLASS=AA SEQID=171 ATTCHORD=(4 856 Al 858 Br)
+M  V30 858 T 32.75 -53.75 0.0 0 CLASS=AA SEQID=172 ATTCHORD=(4 857 Al 859 Br)
+M  V30 859 Y 34.25 -53.75 0.0 0 CLASS=AA SEQID=173 ATTCHORD=(4 858 Al 860 Br)
+M  V30 860 S 35.75 -53.75 0.0 0 CLASS=AA SEQID=174 ATTCHORD=(4 859 Al 861 Br)
+M  V30 861 L 37.25 -53.75 0.0 0 CLASS=AA SEQID=175 ATTCHORD=(4 860 Al 862 Br)
+M  V30 862 S 1.25 -55.25 0.0 0 CLASS=AA SEQID=176 ATTCHORD=(4 861 Al 863 Br)
+M  V30 863 S 2.75 -55.25 0.0 0 CLASS=AA SEQID=177 ATTCHORD=(4 862 Al 864 Br)
+M  V30 864 T 4.25 -55.25 0.0 0 CLASS=AA SEQID=178 ATTCHORD=(4 863 Al 865 Br)
+M  V30 865 L 5.75 -55.25 0.0 0 CLASS=AA SEQID=179 ATTCHORD=(4 864 Al 866 Br)
+M  V30 866 T 7.25 -55.25 0.0 0 CLASS=AA SEQID=180 ATTCHORD=(4 865 Al 867 Br)
+M  V30 867 L 8.75 -55.25 0.0 0 CLASS=AA SEQID=181 ATTCHORD=(4 866 Al 868 Br)
+M  V30 868 S 10.25 -55.25 0.0 0 CLASS=AA SEQID=182 ATTCHORD=(4 867 Al 869 Br)
+M  V30 869 K 11.75 -55.25 0.0 0 CLASS=AA SEQID=183 ATTCHORD=(4 868 Al 870 Br)
+M  V30 870 A 13.25 -55.25 0.0 0 CLASS=AA SEQID=184 ATTCHORD=(4 869 Al 871 Br)
+M  V30 871 D 14.75 -55.25 0.0 0 CLASS=AA SEQID=185 ATTCHORD=(4 870 Al 872 Br)
+M  V30 872 Y 16.25 -55.25 0.0 0 CLASS=AA SEQID=186 ATTCHORD=(4 871 Al 873 Br)
+M  V30 873 E 17.75 -55.25 0.0 0 CLASS=AA SEQID=187 ATTCHORD=(4 872 Al 874 Br)
+M  V30 874 K 19.25 -55.25 0.0 0 CLASS=AA SEQID=188 ATTCHORD=(4 873 Al 875 Br)
+M  V30 875 H 20.75 -55.25 0.0 0 CLASS=AA SEQID=189 ATTCHORD=(4 874 Al 876 Br)
+M  V30 876 K 22.25 -55.25 0.0 0 CLASS=AA SEQID=190 ATTCHORD=(4 875 Al 877 Br)
+M  V30 877 V 23.75 -55.25 0.0 0 CLASS=AA SEQID=191 ATTCHORD=(4 876 Al 878 Br)
+M  V30 878 Y 25.25 -55.25 0.0 0 CLASS=AA SEQID=192 ATTCHORD=(4 877 Al 879 Br)
+M  V30 879 A 26.75 -55.25 0.0 0 CLASS=AA SEQID=193 ATTCHORD=(4 878 Al 880 Br)
+M  V30 880 C 28.25 -55.25 0.0 0 CLASS=AA SEQID=194 ATTCHORD=(6 879 Al 881 Br -
+M  V30 820 Cx)
+M  V30 881 E 29.75 -55.25 0.0 0 CLASS=AA SEQID=195 ATTCHORD=(4 880 Al 882 Br)
+M  V30 882 V 31.25 -55.25 0.0 0 CLASS=AA SEQID=196 ATTCHORD=(4 881 Al 883 Br)
+M  V30 883 T 32.75 -55.25 0.0 0 CLASS=AA SEQID=197 ATTCHORD=(4 882 Al 884 Br)
+M  V30 884 H 34.25 -55.25 0.0 0 CLASS=AA SEQID=198 ATTCHORD=(4 883 Al 885 Br)
+M  V30 885 Q 35.75 -55.25 0.0 0 CLASS=AA SEQID=199 ATTCHORD=(4 884 Al 886 Br)
+M  V30 886 G 37.25 -55.25 0.0 0 CLASS=AA SEQID=200 ATTCHORD=(4 885 Al 887 Br)
+M  V30 887 L 1.25 -56.75 0.0 0 CLASS=AA SEQID=201 ATTCHORD=(4 886 Al 888 Br)
+M  V30 888 S 2.75 -56.75 0.0 0 CLASS=AA SEQID=202 ATTCHORD=(4 887 Al 889 Br)
+M  V30 889 S 4.25 -56.75 0.0 0 CLASS=AA SEQID=203 ATTCHORD=(4 888 Al 890 Br)
+M  V30 890 P 5.75 -56.75 0.0 0 CLASS=AA SEQID=204 ATTCHORD=(4 889 Al 891 Br)
+M  V30 891 V 7.25 -56.75 0.0 0 CLASS=AA SEQID=205 ATTCHORD=(4 890 Al 892 Br)
+M  V30 892 T 8.75 -56.75 0.0 0 CLASS=AA SEQID=206 ATTCHORD=(4 891 Al 893 Br)
+M  V30 893 K 10.25 -56.75 0.0 0 CLASS=AA SEQID=207 ATTCHORD=(4 892 Al 894 Br)
+M  V30 894 S 11.75 -56.75 0.0 0 CLASS=AA SEQID=208 ATTCHORD=(4 893 Al 895 Br)
+M  V30 895 F 13.25 -56.75 0.0 0 CLASS=AA SEQID=209 ATTCHORD=(4 894 Al 896 Br)
+M  V30 896 N 14.75 -56.75 0.0 0 CLASS=AA SEQID=210 ATTCHORD=(4 895 Al 897 Br)
+M  V30 897 R 16.25 -56.75 0.0 0 CLASS=AA SEQID=211 ATTCHORD=(4 896 Al 898 Br)
+M  V30 898 G 17.75 -56.75 0.0 0 CLASS=AA SEQID=212 ATTCHORD=(4 897 Al 899 Br)
+M  V30 899 E 19.25 -56.75 0.0 0 CLASS=AA SEQID=213 ATTCHORD=(4 898 Al 900 Br)
+M  V30 900 C 20.75 -56.75 0.0 0 CLASS=AA SEQID=214 ATTCHORD=(4 899 Al 674 Cx)
+M  V30 901 D 16.25 -38.75 0.0 0 CLASS=AA SEQID=11 ATTCHORD=(4 902 Br 920 Al)
+M  V30 902 Y 17.75 -38.75 0.0 0 CLASS=AA SEQID=12 ATTCHORD=(4 901 Al 903 Br)
+M  V30 903 F 19.25 -38.75 0.0 0 CLASS=AA SEQID=13 ATTCHORD=(4 902 Al 904 Br)
+M  V30 904 P 20.75 -38.75 0.0 0 CLASS=AA SEQID=14 ATTCHORD=(4 903 Al 905 Br)
+M  V30 905 E 22.25 -38.75 0.0 0 CLASS=AA SEQID=15 ATTCHORD=(4 904 Al 906 Br)
+M  V30 906 P 23.75 -38.75 0.0 0 CLASS=AA SEQID=16 ATTCHORD=(4 905 Al 907 Br)
+M  V30 907 V 25.25 -38.75 0.0 0 CLASS=AA SEQID=17 ATTCHORD=(4 906 Al 908 Br)
+M  V30 908 T 26.75 -38.75 0.0 0 CLASS=AA SEQID=18 ATTCHORD=(4 907 Al 909 Br)
+M  V30 909 V 28.25 -38.75 0.0 0 CLASS=AA SEQID=19 ATTCHORD=(4 908 Al 910 Br)
+M  V30 910 S 29.75 -38.75 0.0 0 CLASS=AA SEQID=20 ATTCHORD=(4 612 Br 909 Al)
+M  V30 911 G 1.25 -38.75 0.0 0 CLASS=AA SEQID=1 ATTCHORD=(2 912 Br)
+M  V30 912 T 2.75 -38.75 0.0 0 CLASS=AA SEQID=2 ATTCHORD=(4 911 Al 913 Br)
+M  V30 913 A 4.25 -38.75 0.0 0 CLASS=AA SEQID=3 ATTCHORD=(4 912 Al 914 Br)
+M  V30 914 A 5.75 -38.75 0.0 0 CLASS=AA SEQID=4 ATTCHORD=(4 913 Al 915 Br)
+M  V30 915 L 7.25 -38.75 0.0 0 CLASS=AA SEQID=5 ATTCHORD=(4 914 Al 916 Br)
+M  V30 916 G 8.75 -38.75 0.0 0 CLASS=AA SEQID=6 ATTCHORD=(4 915 Al 917 Br)
+M  V30 917 C 10.25 -38.75 0.0 0 CLASS=AA SEQID=7 ATTCHORD=(6 654 Cx 916 Al 91-
+M  V30 8 Br)
+M  V30 918 L 11.75 -38.75 0.0 0 CLASS=AA SEQID=8 ATTCHORD=(4 917 Al 919 Br)
+M  V30 919 V 13.25 -38.75 0.0 0 CLASS=AA SEQID=9 ATTCHORD=(4 918 Al 920 Br)
+M  V30 920 K 14.75 -38.75 0.0 0 CLASS=AA SEQID=10 ATTCHORD=(4 901 Br 919 Al)
+M  V30 921 A 31.25 -43.25 0.0 0 CLASS=AA SEQID=96 ATTCHORD=(4 686 Al 922 Br)
+M  V30 922 K 32.75 -43.25 0.0 0 CLASS=AA SEQID=97 ATTCHORD=(4 921 Al 923 Br)
+M  V30 923 K 32.75 -43.25 0.0 0 CLASS=AA SEQID=97 ATTCHORD=(4 922 Al 924 Br)
+M  V30 924 K 32.75 -43.25 0.0 0 CLASS=AA SEQID=97 ATTCHORD=(4 923 Al 925 Br)
+M  V30 925 A 32.75 -43.25 0.0 0 CLASS=AA SEQID=97 ATTCHORD=(2 924 Al)
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 1 2 3
+M  V30 3 1 3 4
+M  V30 4 1 4 5
+M  V30 5 1 5 6
+M  V30 6 1 6 7
+M  V30 7 1 7 8
+M  V30 8 1 8 9
+M  V30 9 1 9 10
+M  V30 10 1 10 11
+M  V30 11 1 11 12
+M  V30 12 1 12 13
+M  V30 13 1 13 14
+M  V30 14 1 14 15
+M  V30 15 1 15 16
+M  V30 16 1 16 17
+M  V30 17 1 17 18
+M  V30 18 1 18 19
+M  V30 19 1 19 20
+M  V30 20 1 20 21
+M  V30 21 1 21 22
+M  V30 22 1 22 23
+M  V30 23 1 23 24
+M  V30 24 1 24 25
+M  V30 25 1 25 26
+M  V30 26 1 26 27
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+M  V30 28 1 28 29
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+M  V30 31 1 31 32
+M  V30 32 1 32 33
+M  V30 33 1 33 34
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+M  V30 35 1 35 36
+M  V30 36 1 36 37
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+M  V30 439 1 440 441
+M  V30 440 1 441 442
+M  V30 441 1 442 443
+M  V30 442 1 443 444
+M  V30 443 1 444 445
+M  V30 444 1 445 446
+M  V30 445 1 446 447
+M  V30 446 1 447 448
+M  V30 447 1 448 449
+M  V30 448 1 449 450
+M  V30 449 1 450 451
+M  V30 450 1 451 452
+M  V30 451 1 452 453
+M  V30 452 1 453 454
+M  V30 453 1 454 455
+M  V30 454 1 455 456
+M  V30 455 1 456 457
+M  V30 456 1 457 458
+M  V30 457 1 458 459
+M  V30 458 1 459 460
+M  V30 459 1 460 461
+M  V30 460 1 461 462
+M  V30 461 1 462 463
+M  V30 462 1 463 464
+M  V30 463 1 464 465
+M  V30 464 1 465 466
+M  V30 465 1 466 467
+M  V30 466 1 467 468
+M  V30 467 1 468 469
+M  V30 468 1 469 470
+M  V30 469 1 470 471
+M  V30 470 1 471 472
+M  V30 471 1 472 473
+M  V30 472 1 473 474
+M  V30 473 1 474 475
+M  V30 474 1 475 476
+M  V30 475 1 476 477
+M  V30 476 1 477 478
+M  V30 477 1 478 479
+M  V30 478 1 479 480
+M  V30 479 1 480 481
+M  V30 480 1 481 482
+M  V30 481 1 482 483
+M  V30 482 1 483 484
+M  V30 483 1 484 485
+M  V30 484 1 485 486
+M  V30 485 1 486 487
+M  V30 486 1 487 488
+M  V30 487 1 488 489
+M  V30 488 1 489 490
+M  V30 489 1 490 491
+M  V30 490 1 491 492
+M  V30 491 1 492 493
+M  V30 492 1 493 494
+M  V30 493 1 494 495
+M  V30 494 1 495 496
+M  V30 495 1 496 497
+M  V30 496 1 497 498
+M  V30 497 1 498 499
+M  V30 498 1 499 500
+M  V30 499 1 500 501
+M  V30 500 1 501 502
+M  V30 501 1 502 503
+M  V30 502 1 503 504
+M  V30 503 1 504 505
+M  V30 504 1 505 506
+M  V30 505 1 506 507
+M  V30 506 1 507 508
+M  V30 507 1 508 509
+M  V30 508 1 509 510
+M  V30 509 1 510 511
+M  V30 510 1 511 512
+M  V30 511 1 512 513
+M  V30 512 1 513 514
+M  V30 513 1 514 515
+M  V30 514 1 515 516
+M  V30 515 1 516 517
+M  V30 516 1 517 518
+M  V30 517 1 518 519
+M  V30 518 1 519 520
+M  V30 519 1 520 521
+M  V30 520 1 521 522
+M  V30 521 1 522 523
+M  V30 522 1 523 524
+M  V30 523 1 524 525
+M  V30 524 1 525 526
+M  V30 525 1 526 527
+M  V30 526 1 527 528
+M  V30 527 1 528 529
+M  V30 528 1 529 530
+M  V30 529 1 530 531
+M  V30 530 1 531 532
+M  V30 531 1 532 533
+M  V30 532 1 533 534
+M  V30 533 1 534 535
+M  V30 534 1 535 536
+M  V30 535 1 536 537
+M  V30 536 1 537 538
+M  V30 537 1 538 539
+M  V30 538 1 539 540
+M  V30 539 1 540 541
+M  V30 540 1 541 542
+M  V30 541 1 542 543
+M  V30 542 1 543 544
+M  V30 543 1 544 545
+M  V30 544 1 545 546
+M  V30 545 1 546 547
+M  V30 546 1 547 548
+M  V30 547 1 548 549
+M  V30 548 1 549 550
+M  V30 549 1 550 551
+M  V30 550 1 551 552
+M  V30 551 1 552 553
+M  V30 552 1 553 554
+M  V30 553 1 554 555
+M  V30 554 1 555 556
+M  V30 555 1 556 557
+M  V30 556 1 557 558
+M  V30 557 1 558 559
+M  V30 558 1 559 560
+M  V30 559 1 560 561
+M  V30 560 1 561 562
+M  V30 561 1 562 563
+M  V30 562 1 563 564
+M  V30 563 1 564 565
+M  V30 564 1 565 566
+M  V30 565 1 566 567
+M  V30 566 1 567 568
+M  V30 567 1 568 569
+M  V30 568 1 569 570
+M  V30 569 1 570 571
+M  V30 570 1 571 572
+M  V30 571 1 572 573
+M  V30 572 1 573 574
+M  V30 573 1 574 575
+M  V30 574 1 575 576
+M  V30 575 1 576 577
+M  V30 576 1 577 578
+M  V30 577 1 578 579
+M  V30 578 1 579 580
+M  V30 579 1 580 581
+M  V30 580 1 581 582
+M  V30 581 1 582 583
+M  V30 582 1 583 584
+M  V30 583 1 584 585
+M  V30 584 1 585 586
+M  V30 585 1 586 587
+M  V30 586 1 587 588
+M  V30 587 1 588 589
+M  V30 588 1 589 590
+M  V30 589 1 590 591
+M  V30 590 1 591 592
+M  V30 591 1 592 593
+M  V30 592 1 593 594
+M  V30 593 1 594 595
+M  V30 594 1 595 596
+M  V30 595 1 596 597
+M  V30 596 1 597 598
+M  V30 597 1 598 599
+M  V30 598 1 599 600
+M  V30 599 1 600 601
+M  V30 600 1 601 602
+M  V30 601 1 602 603
+M  V30 602 1 603 604
+M  V30 603 1 604 605
+M  V30 604 1 605 606
+M  V30 605 1 606 607
+M  V30 606 1 607 608
+M  V30 607 1 608 609
+M  V30 608 1 609 610
+M  V30 609 1 610 611
+M  V30 610 1 96 22
+M  V30 611 1 203 147
+M  V30 612 1 264 324
+M  V30 613 1 485 420
+M  V30 614 1 591 531
+M  V30 615 1 611 223
+M  V30 616 1 612 613
+M  V30 617 1 613 614
+M  V30 618 1 614 615
+M  V30 619 1 615 616
+M  V30 620 1 616 617
+M  V30 621 1 617 618
+M  V30 622 1 618 619
+M  V30 623 1 619 620
+M  V30 624 1 620 621
+M  V30 625 1 621 622
+M  V30 626 1 622 623
+M  V30 627 1 623 624
+M  V30 628 1 624 625
+M  V30 629 1 625 626
+M  V30 630 1 626 627
+M  V30 631 1 627 628
+M  V30 632 1 628 629
+M  V30 633 1 629 630
+M  V30 634 1 630 631
+M  V30 635 1 631 632
+M  V30 636 1 632 633
+M  V30 637 1 633 634
+M  V30 638 1 634 635
+M  V30 639 1 635 636
+M  V30 640 1 636 637
+M  V30 641 1 637 638
+M  V30 642 1 638 639
+M  V30 643 1 639 640
+M  V30 644 1 640 641
+M  V30 645 1 641 642
+M  V30 646 1 642 643
+M  V30 647 1 643 644
+M  V30 648 1 644 645
+M  V30 649 1 645 646
+M  V30 650 1 646 647
+M  V30 651 1 647 648
+M  V30 652 1 648 649
+M  V30 653 1 649 650
+M  V30 654 1 650 651
+M  V30 655 1 651 652
+M  V30 656 1 652 653
+M  V30 657 1 653 654
+M  V30 658 1 654 655
+M  V30 659 1 655 656
+M  V30 660 1 656 657
+M  V30 661 1 657 658
+M  V30 662 1 658 659
+M  V30 663 1 659 660
+M  V30 664 1 660 661
+M  V30 665 1 661 662
+M  V30 666 1 662 663
+M  V30 667 1 663 664
+M  V30 668 1 664 665
+M  V30 669 1 665 666
+M  V30 670 1 666 667
+M  V30 671 1 667 668
+M  V30 672 1 668 669
+M  V30 673 1 669 670
+M  V30 674 1 670 671
+M  V30 675 1 671 672
+M  V30 676 1 672 673
+M  V30 677 1 673 674
+M  V30 678 1 674 675
+M  V30 679 1 675 676
+M  V30 680 1 676 677
+M  V30 681 1 677 678
+M  V30 682 1 678 679
+M  V30 683 1 679 680
+M  V30 684 1 680 681
+M  V30 685 1 681 682
+M  V30 686 1 682 683
+M  V30 687 1 683 684
+M  V30 688 1 684 685
+M  V30 689 1 685 686
+M  V30 690 1 687 688
+M  V30 691 1 688 689
+M  V30 692 1 689 690
+M  V30 693 1 690 691
+M  V30 694 1 691 692
+M  V30 695 1 692 693
+M  V30 696 1 693 694
+M  V30 697 1 694 695
+M  V30 698 1 695 696
+M  V30 699 1 696 697
+M  V30 700 1 697 698
+M  V30 701 1 698 699
+M  V30 702 1 699 700
+M  V30 703 1 700 701
+M  V30 704 1 701 702
+M  V30 705 1 702 703
+M  V30 706 1 703 704
+M  V30 707 1 704 705
+M  V30 708 1 705 706
+M  V30 709 1 706 707
+M  V30 710 1 707 708
+M  V30 711 1 708 709
+M  V30 712 1 709 710
+M  V30 713 1 710 711
+M  V30 714 1 711 712
+M  V30 715 1 712 713
+M  V30 716 1 713 714
+M  V30 717 1 714 715
+M  V30 718 1 715 716
+M  V30 719 1 716 717
+M  V30 720 1 717 718
+M  V30 721 1 718 719
+M  V30 722 1 719 720
+M  V30 723 1 720 721
+M  V30 724 1 721 722
+M  V30 725 1 722 723
+M  V30 726 1 723 724
+M  V30 727 1 724 725
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+M  V30 729 1 726 727
+M  V30 730 1 727 728
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+M  V30 733 1 730 731
+M  V30 734 1 731 732
+M  V30 735 1 732 733
+M  V30 736 1 733 734
+M  V30 737 1 734 735
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+M  V30 739 1 736 737
+M  V30 740 1 737 738
+M  V30 741 1 738 739
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+M  V30 744 1 741 742
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+M  V30 746 1 743 744
+M  V30 747 1 744 745
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+M  V30 749 1 746 747
+M  V30 750 1 747 748
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+M  V30 753 1 750 751
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+M  V30 757 1 754 755
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+M  V30 759 1 756 757
+M  V30 760 1 757 758
+M  V30 761 1 758 759
+M  V30 762 1 759 760
+M  V30 763 1 760 761
+M  V30 764 1 761 762
+M  V30 765 1 762 763
+M  V30 766 1 763 764
+M  V30 767 1 764 765
+M  V30 768 1 765 766
+M  V30 769 1 766 767
+M  V30 770 1 767 768
+M  V30 771 1 768 769
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+M  V30 774 1 771 772
+M  V30 775 1 772 773
+M  V30 776 1 773 774
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+M  V30 778 1 775 776
+M  V30 779 1 776 777
+M  V30 780 1 777 778
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+M  V30 782 1 779 780
+M  V30 783 1 780 781
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+M  V30 786 1 783 784
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+M  V30 788 1 785 786
+M  V30 789 1 786 787
+M  V30 790 1 787 788
+M  V30 791 1 788 789
+M  V30 792 1 789 790
+M  V30 793 1 790 791
+M  V30 794 1 791 792
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+M  V30 797 1 794 795
+M  V30 798 1 795 796
+M  V30 799 1 796 797
+M  V30 800 1 797 798
+M  V30 801 1 798 799
+M  V30 802 1 799 800
+M  V30 803 1 800 801
+M  V30 804 1 801 802
+M  V30 805 1 802 803
+M  V30 806 1 803 804
+M  V30 807 1 804 805
+M  V30 808 1 805 806
+M  V30 809 1 806 807
+M  V30 810 1 807 808
+M  V30 811 1 808 809
+M  V30 812 1 809 810
+M  V30 813 1 810 811
+M  V30 814 1 811 812
+M  V30 815 1 812 813
+M  V30 816 1 813 814
+M  V30 817 1 814 815
+M  V30 818 1 815 816
+M  V30 819 1 816 817
+M  V30 820 1 817 818
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+M  V30 822 1 819 820
+M  V30 823 1 820 821
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+M  V30 832 1 829 830
+M  V30 833 1 830 831
+M  V30 834 1 831 832
+M  V30 835 1 832 833
+M  V30 836 1 833 834
+M  V30 837 1 834 835
+M  V30 838 1 835 836
+M  V30 839 1 836 837
+M  V30 840 1 837 838
+M  V30 841 1 838 839
+M  V30 842 1 839 840
+M  V30 843 1 840 841
+M  V30 844 1 841 842
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+M  V30 847 1 844 845
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+M  V30 852 1 849 850
+M  V30 853 1 850 851
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+M  V30 858 1 855 856
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+M  V30 861 1 858 859
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+M  V30 863 1 860 861
+M  V30 864 1 861 862
+M  V30 865 1 862 863
+M  V30 866 1 863 864
+M  V30 867 1 864 865
+M  V30 868 1 865 866
+M  V30 869 1 866 867
+M  V30 870 1 867 868
+M  V30 871 1 868 869
+M  V30 872 1 869 870
+M  V30 873 1 870 871
+M  V30 874 1 871 872
+M  V30 875 1 872 873
+M  V30 876 1 873 874
+M  V30 877 1 874 875
+M  V30 878 1 875 876
+M  V30 879 1 876 877
+M  V30 880 1 877 878
+M  V30 881 1 878 879
+M  V30 882 1 879 880
+M  V30 883 1 880 881
+M  V30 884 1 881 882
+M  V30 885 1 882 883
+M  V30 886 1 883 884
+M  V30 887 1 884 885
+M  V30 888 1 885 886
+M  V30 889 1 886 887
+M  V30 890 1 887 888
+M  V30 891 1 888 889
+M  V30 892 1 889 890
+M  V30 893 1 890 891
+M  V30 894 1 891 892
+M  V30 895 1 892 893
+M  V30 896 1 893 894
+M  V30 897 1 894 895
+M  V30 898 1 895 896
+M  V30 899 1 896 897
+M  V30 900 1 897 898
+M  V30 901 1 898 899
+M  V30 902 1 899 900
+M  V30 903 1 774 709
+M  V30 904 1 880 820
+M  V30 905 1 900 674
+M  V30 906 1 229 680
+M  V30 907 1 683 232
+M  V30 908 1 910 612
+M  V30 909 1 901 902
+M  V30 910 1 902 903
+M  V30 911 1 903 904
+M  V30 912 1 904 905
+M  V30 913 1 905 906
+M  V30 914 1 906 907
+M  V30 915 1 907 908
+M  V30 916 1 908 909
+M  V30 917 1 909 910
+M  V30 918 1 654 917
+M  V30 919 1 920 901
+M  V30 920 1 911 912
+M  V30 921 1 912 913
+M  V30 922 1 913 914
+M  V30 923 1 914 915
+M  V30 924 1 915 916
+M  V30 925 1 916 917
+M  V30 926 1 917 918
+M  V30 927 1 918 919
+M  V30 928 1 919 920
+M  V30 929 1 686 921
+M  V30 930 1 921 922
+M  V30 931 1 922 923
+M  V30 932 1 923 924
+M  V30 933 1 924 925
+M  V30 END BOND
+M  V30 END CTAB
+M  V30 BEGIN TEMPLATE
+M  V30 TEMPLATE 1 AA/Glu/E/ NATREPLACE=AA/E
+M  V30 BEGIN CTAB
+M  V30 COUNTS 12 11 4 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 0.3442 -1.4777 0.0 0 CFG=1
+M  V30 2 C 1.6244 -2.2154 0.0 0
+M  V30 3 O 1.6261 -3.3968 0.0 0
+M  V30 4 O 2.6469 -1.6234 0.0 0
+M  V30 5 N -0.9361 -2.2154 0.0 0
+M  V30 6 H -1.9591 -1.6245 0.0 0
+M  V30 7 C 0.3419 -0.0001 0.0 0
+M  V30 8 C -0.9383 0.7375 0.0 0
+M  V30 9 C -0.9406 2.2151 0.0 0
+M  V30 10 O -1.9642 2.8049 0.0 0
+M  V30 11 O 0.0819 2.8071 0.0 0
+M  V30 12 H 0.0729 3.9885 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 2 1
+M  V30 2 2 2 3
+M  V30 3 1 2 4
+M  V30 4 1 1 5
+M  V30 5 1 5 6
+M  V30 6 1 1 7 CFG=1
+M  V30 7 1 7 8
+M  V30 8 1 8 9
+M  V30 9 2 9 10
+M  V30 10 1 9 11
+M  V30 11 1 11 12
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 1)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 6) XBONDS=(1 5) BRKXYZ=(9 0.511500 -0.295450 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 4) XBONDS=(1 3) BRKXYZ=(9 -0.511250 -0.296000 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(1 12) XBONDS=(1 11) BRKXYZ=(9 0.004500 -0.590700 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
+M  V30 S=LGRP
+M  V30 4 SUP 4 ATOMS=(9 1 2 3 5 7 8 9 10 11) XBONDS=(3 3 5 11) BRKXYZ=(9 0.51-
+M  V30 1250 0.296000 0.000000 -0.511500 0.295450 0.000000 0.000000 0.000000 0-
+M  V30 .000000) BRKXYZ=(9 -0.004500 0.590700 0.000000 0.000000 0.000000 0.000-
+M  V30 000 0.000000 0.000000 0.000000) LABEL=E CLASS=AA SAP=(3 5 6 Al) SAP=(3-
+M  V30  2 4 Br) SAP=(3 11 12 Cx) NATREPLACE=AA/E
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 2 AA/Val/V/ NATREPLACE=AA/V
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 8 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.1543 -0.9675 0.0 0
+M  V30 2 C -0.1446 -0.2156 0.0 0 CFG=2
+M  V30 3 C -1.1823 1.8865 0.0 0
+M  V30 4 C -0.1438 1.2853 0.0 0
+M  V30 5 C 0.896 1.8843 0.0 0
+M  V30 6 O 1.1536 -2.1676 0.0 0
+M  V30 7 N -1.4435 -0.9675 0.0 0
+M  V30 8 O 2.1941 -0.3685 0.0 0
+M  V30 9 H -2.4838 -0.3695 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 6 1
+M  V30 2 1 1 2
+M  V30 3 1 1 8
+M  V30 4 1 2 7
+M  V30 5 1 2 4 CFG=1
+M  V30 6 1 4 3
+M  V30 7 1 4 5
+M  V30 8 1 7 9
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 2)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 9) XBONDS=(1 8) BRKXYZ=(9 0.520150 -0.299000 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 8) XBONDS=(1 3) BRKXYZ=(9 -0.519900 -0.299500 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(7 1 2 3 4 5 6 7) XBONDS=(2 3 8) BRKXYZ=(9 0.519900 0.29-
+M  V30 9500 0.000000 -0.520150 0.299000 0.000000 0.000000 0.000000 0.000000) -
+M  V30 LABEL=V CLASS=AA SAP=(3 7 9 Al) SAP=(3 1 8 Br) NATREPLACE=AA/V
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 3 AA/Gln/Q/ NATREPLACE=AA/Q
+M  V30 BEGIN CTAB
+M  V30 COUNTS 12 11 4 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.6237 -2.2154 0.0 0
+M  V30 2 O 1.6254 -3.3969 0.0 0
+M  V30 3 C 0.3435 -1.4777 0.0 0 CFG=1
+M  V30 4 N -0.9368 -2.2154 0.0 0
+M  V30 5 H -1.9598 -1.6245 0.0 0
+M  V30 6 C 0.3413 -0.0001 0.0 0
+M  V30 7 C -0.9389 0.7376 0.0 0
+M  V30 8 C -0.9411 2.2152 0.0 0
+M  V30 9 N 0.0813 2.8071 0.0 0
+M  V30 10 O -1.9648 2.805 0.0 0
+M  V30 11 O 2.6462 -1.6235 0.0 0
+M  V30 12 H 0.0799 3.9885 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 2 1
+M  V30 2 1 1 3
+M  V30 3 1 3 4
+M  V30 4 1 4 5
+M  V30 5 1 3 6 CFG=1
+M  V30 6 1 6 7
+M  V30 7 1 7 8
+M  V30 8 1 8 9
+M  V30 9 2 8 10
+M  V30 10 1 1 11
+M  V30 11 1 9 12
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 3)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 5) XBONDS=(1 4) BRKXYZ=(9 0.511500 -0.295450 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 11) XBONDS=(1 10) BRKXYZ=(9 -0.511250 -0.295950 0.000-
+M  V30 000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CL-
+M  V30 ASS=LGRP
+M  V30 3 SUP 3 ATOMS=(1 12) XBONDS=(1 11) BRKXYZ=(9 0.000700 -0.590700 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
+M  V30 S=LGRP
+M  V30 4 SUP 4 ATOMS=(9 1 2 3 4 6 7 8 9 10) XBONDS=(3 10 4 11) BRKXYZ=(9 0.51-
+M  V30 1250 0.295950 0.000000 -0.511500 0.295450 0.000000 0.000000 0.000000 0-
+M  V30 .000000) BRKXYZ=(9 -0.000700 0.590700 0.000000 0.000000 0.000000 0.000-
+M  V30 000 0.000000 0.000000 0.000000) LABEL=Q CLASS=AA SAP=(3 4 5 Al) SAP=(3-
+M  V30  1 11 Br) SAP=(3 9 12 Cx) NATREPLACE=AA/Q
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 4 AA/Leu/L/ NATREPLACE=AA/L
+M  V30 BEGIN CTAB
+M  V30 COUNTS 10 9 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 0.3626 0.9903 0.0 0
+M  V30 2 C -0.9395 2.9396 0.0 0
+M  V30 3 C -0.9377 1.7396 0.0 0
+M  V30 4 C -1.9763 1.1383 0.0 0
+M  V30 5 C 0.3649 -0.5105 0.0 0 CFG=1
+M  V30 6 C 1.6653 -1.2598 0.0 0
+M  V30 7 O 1.6671 -2.4598 0.0 0
+M  V30 8 N -0.9355 -1.2598 0.0 0
+M  V30 9 O 2.7038 -0.6585 0.0 0
+M  V30 10 H -1.9746 -0.6596 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 3 1
+M  V30 2 1 5 1 CFG=1
+M  V30 3 1 3 2
+M  V30 4 1 3 4
+M  V30 5 1 5 8
+M  V30 6 1 5 6
+M  V30 7 2 6 7
+M  V30 8 1 6 9
+M  V30 9 1 8 10
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 5)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 10) XBONDS=(1 9) BRKXYZ=(9 0.519550 -0.300100 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS-
+M  V30 =LGRP
+M  V30 2 SUP 2 ATOMS=(1 9) XBONDS=(1 8) BRKXYZ=(9 -0.519250 -0.300650 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(8 1 2 3 4 5 6 7 8) XBONDS=(2 8 9) BRKXYZ=(9 0.519250 0.-
+M  V30 300650 0.000000 -0.519550 0.300100 0.000000 0.000000 0.000000 0.000000-
+M  V30 ) LABEL=L CLASS=AA SAP=(3 8 10 Al) SAP=(3 6 9 Br) NATREPLACE=AA/L
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 5 AA/Ser/S/ NATREPLACE=AA/S
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 8 4 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.3671 -1.0829 0.0 0
+M  V30 2 O 1.3689 -2.2643 0.0 0
+M  V30 3 C 0.0869 -0.3452 0.0 0 CFG=1
+M  V30 4 N -1.1934 -1.0829 0.0 0
+M  V30 5 H -2.2165 -0.492 0.0 0
+M  V30 6 C 0.0847 1.1324 0.0 0
+M  V30 7 O -0.9391 1.7222 0.0 0
+M  V30 8 O 2.3896 -0.4909 0.0 0
+M  V30 9 H -0.9481 2.9036 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 2 1
+M  V30 2 1 1 3
+M  V30 3 1 3 4
+M  V30 4 1 4 5
+M  V30 5 1 3 6 CFG=1
+M  V30 6 1 6 7
+M  V30 7 1 1 8
+M  V30 8 1 7 9
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 3)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 5) XBONDS=(1 4) BRKXYZ=(9 0.511550 -0.295450 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 8) XBONDS=(1 7) BRKXYZ=(9 -0.511250 -0.296000 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(1 9) XBONDS=(1 8) BRKXYZ=(9 0.004500 -0.590700 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 4 SUP 4 ATOMS=(6 1 2 3 4 6 7) XBONDS=(3 7 4 8) BRKXYZ=(9 0.511250 0.29-
+M  V30 6000 0.000000 -0.511550 0.295450 0.000000 0.000000 0.000000 0.000000) -
+M  V30 BRKXYZ=(9 -0.004500 0.590700 0.000000 0.000000 0.000000 0.000000 0.000-
+M  V30 000 0.000000 0.000000) LABEL=S CLASS=AA SAP=(3 4 5 Al) SAP=(3 1 8 Br) -
+M  V30 SAP=(3 7 9 Cx) NATREPLACE=AA/S
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 6 AA/Gly/G/ NATREPLACE=AA/G
+M  V30 BEGIN CTAB
+M  V30 COUNTS 6 5 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C -0.3363 0.5346 0.0 0
+M  V30 2 C 0.9929 -0.1107 0.0 0
+M  V30 3 O 1.0782 -1.289 0.0 0
+M  V30 4 O 1.9709 0.552 0.0 0
+M  V30 5 N -1.326 -0.1107 0.0 0
+M  V30 6 H -2.3797 0.4238 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 2 2 3
+M  V30 3 1 2 4
+M  V30 4 1 1 5
+M  V30 5 1 5 6
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 6) XBONDS=(1 5) BRKXYZ=(9 0.526850 -0.267250 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 4) XBONDS=(1 3) BRKXYZ=(9 -0.489000 -0.331350 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(4 1 2 3 5) XBONDS=(2 3 5) BRKXYZ=(9 0.489000 0.331350 0-
+M  V30 .000000 -0.526850 0.267250 0.000000 0.000000 0.000000 0.000000) LABEL=-
+M  V30 G CLASS=AA SAP=(3 5 6 Al) SAP=(3 2 4 Br) NATREPLACE=AA/G
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 7 AA/Pro/P/ NATREPLACE=AA/P
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 9 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 0.0018 1.6555 0.0 0
+M  V30 2 C -1.4799 1.889 0.0 0
+M  V30 3 C -2.1599 0.5519 0.0 0
+M  V30 4 N -1.0984 -0.5079 0.0 0
+M  V30 5 C 0.2376 0.1741 0.0 0 CFG=2
+M  V30 6 C 1.5717 -0.5079 0.0 0
+M  V30 7 O 1.6336 -1.7063 0.0 0
+M  V30 8 O 2.5787 0.1448 0.0 0
+M  V30 9 H -1.2852 -1.6933 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 1 5 1 CFG=1
+M  V30 3 1 2 3
+M  V30 4 1 3 4
+M  V30 5 1 4 5
+M  V30 6 1 5 6
+M  V30 7 2 6 7
+M  V30 8 1 6 8
+M  V30 9 1 4 9
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 5)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 9) XBONDS=(1 9) BRKXYZ=(9 0.093400 0.592700 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=L-
+M  V30 GRP
+M  V30 2 SUP 2 ATOMS=(1 8) XBONDS=(1 8) BRKXYZ=(9 -0.503500 -0.326350 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(7 1 2 3 4 5 6 7) XBONDS=(2 9 8) BRKXYZ=(9 -0.093400 -0.-
+M  V30 592700 0.000000 0.503500 0.326350 0.000000 0.000000 0.000000 0.000000)-
+M  V30  LABEL=P CLASS=AA SAP=(3 4 9 Al) SAP=(3 6 8 Br) NATREPLACE=AA/P
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 8 AA/Arg/R/ NATREPLACE=AA/R
+M  V30 BEGIN CTAB
+M  V30 COUNTS 14 13 4 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.7718 -2.5891 0.0 0
+M  V30 2 O 1.7732 -3.5337 0.0 0
+M  V30 3 C 0.7483 -1.9994 0.0 0 CFG=1
+M  V30 4 N -0.2752 -2.5891 0.0 0
+M  V30 5 H -1.0932 -2.1168 0.0 0
+M  V30 6 C 0.7464 -0.8182 0.0 0
+M  V30 7 C -0.2771 -0.2284 0.0 0
+M  V30 8 C -0.2789 0.9529 0.0 0
+M  V30 9 N -1.3024 1.5426 0.0 0
+M  V30 10 C -1.3042 2.7238 0.0 0
+M  V30 11 N -0.4868 3.1971 0.0 0
+M  V30 12 N -2.1227 3.1955 0.0 0
+M  V30 13 O 2.5892 -2.1159 0.0 0
+M  V30 14 H -0.4883 4.3786 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 2 1
+M  V30 2 1 1 3
+M  V30 3 1 3 4
+M  V30 4 1 4 5
+M  V30 5 1 3 6 CFG=1
+M  V30 6 1 6 7
+M  V30 7 1 7 8
+M  V30 8 1 8 9
+M  V30 9 1 9 10
+M  V30 10 1 10 11
+M  V30 11 2 10 12
+M  V30 12 1 1 13
+M  V30 13 1 11 14
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 3)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 5) XBONDS=(1 4) BRKXYZ=(9 0.409000 -0.236150 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 13) XBONDS=(1 12) BRKXYZ=(9 -0.408700 -0.236600 0.000-
+M  V30 000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CL-
+M  V30 ASS=LGRP
+M  V30 3 SUP 3 ATOMS=(1 14) XBONDS=(1 13) BRKXYZ=(9 0.000750 -0.590750 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
+M  V30 S=LGRP
+M  V30 4 SUP 4 ATOMS=(11 1 2 3 4 6 7 8 9 10 11 12) XBONDS=(3 12 4 13) BRKXYZ=-
+M  V30 (9 0.408700 0.236600 0.000000 -0.409000 0.236150 0.000000 0.000000 0.0-
+M  V30 00000 0.000000) BRKXYZ=(9 -0.000750 0.590750 0.000000 0.000000 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000) LABEL=R CLASS=AA SAP=(3 4 5 Al)-
+M  V30  SAP=(3 1 13 Br) SAP=(3 11 14 Cx) NATREPLACE=AA/R
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 9 AA/Cys/C/ NATREPLACE=AA/C
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 8 4 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.4457 -1.1333 0.0 0
+M  V30 2 C 0.1453 -0.384 0.0 0 CFG=2
+M  V30 3 C 0.143 1.1168 0.0 0
+M  V30 4 S -1.1573 1.8661 0.0 0
+M  V30 5 N -1.1551 -1.1333 0.0 0
+M  V30 6 O 1.4475 -2.3333 0.0 0
+M  V30 7 O 2.4842 -0.532 0.0 0
+M  V30 8 H -2.1942 -0.5331 0.0 0
+M  V30 9 H -1.1591 3.0661 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 6 1
+M  V30 2 1 1 2
+M  V30 3 1 1 7
+M  V30 4 1 2 5
+M  V30 5 1 2 3 CFG=1
+M  V30 6 1 3 4
+M  V30 7 1 5 8
+M  V30 8 1 4 9
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 2)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 8) XBONDS=(1 7) BRKXYZ=(9 0.519550 -0.300100 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 7) XBONDS=(1 3) BRKXYZ=(9 -0.519250 -0.300650 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(1 9) XBONDS=(1 8) BRKXYZ=(9 0.000900 -0.600000 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 4 SUP 4 ATOMS=(6 1 2 3 4 5 6) XBONDS=(3 3 8 7) BRKXYZ=(9 0.519250 0.30-
+M  V30 0650 0.000000 -0.000900 0.600000 0.000000 0.000000 0.000000 0.000000) -
+M  V30 BRKXYZ=(9 -0.519550 0.300100 0.000000 0.000000 0.000000 0.000000 0.000-
+M  V30 000 0.000000 0.000000) LABEL=C CLASS=AA SAP=(3 5 8 Al) SAP=(3 1 7 Br) -
+M  V30 SAP=(3 4 9 Cx) NATREPLACE=AA/C
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 10 AA/Ala/A/ NATREPLACE=AA/A
+M  V30 BEGIN CTAB
+M  V30 COUNTS 7 6 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 N -1.2549 -0.392 0.0 0
+M  V30 2 C -0.272 0.2633 0.0 0 CFG=1
+M  V30 3 C -0.3103 1.7393 0.0 0
+M  V30 4 C 1.0523 -0.392 0.0 0
+M  V30 5 O 1.0829 -1.5722 0.0 0
+M  V30 6 O 2.0353 0.2633 0.0 0
+M  V30 7 H -2.3334 0.0905 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 2 1
+M  V30 2 1 2 3 CFG=1
+M  V30 3 1 2 4
+M  V30 4 2 4 5
+M  V30 5 1 4 6
+M  V30 6 1 1 7
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 2)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 7) XBONDS=(1 6) BRKXYZ=(9 0.539250 -0.241250 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 6) XBONDS=(1 5) BRKXYZ=(9 -0.491500 -0.327650 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(5 1 2 3 4 5) XBONDS=(2 6 5) BRKXYZ=(9 -0.539250 0.24125-
+M  V30 0 0.000000 0.491500 0.327650 0.000000 0.000000 0.000000 0.000000) LABE-
+M  V30 L=A CLASS=AA SAP=(3 1 7 Al) SAP=(3 4 6 Br) NATREPLACE=AA/A
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 11 AA/Phe/F/ NATREPLACE=AA/F
+M  V30 BEGIN CTAB
+M  V30 COUNTS 13 13 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C -0.2052 2.5398 0.0 0
+M  V30 2 C -1.5064 3.286 0.0 0
+M  V30 3 C -2.8032 2.5322 0.0 0
+M  V30 4 C -2.7988 1.0322 0.0 0
+M  V30 5 C -1.4976 0.2861 0.0 0
+M  V30 6 C -0.2008 1.0398 0.0 0
+M  V30 7 C 1.0995 0.2905 0.0 0
+M  V30 8 C 1.1018 -1.2103 0.0 0 CFG=2
+M  V30 9 N -0.1986 -1.9596 0.0 0
+M  V30 10 C 2.4022 -1.9596 0.0 0
+M  V30 11 O 2.404 -3.1596 0.0 0
+M  V30 12 O 3.4407 -1.3583 0.0 0
+M  V30 13 H -1.2376 -1.3593 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 2 1 6
+M  V30 3 2 2 3
+M  V30 4 1 3 4
+M  V30 5 2 4 5
+M  V30 6 1 5 6
+M  V30 7 1 6 7
+M  V30 8 1 8 7 CFG=1
+M  V30 9 1 8 9
+M  V30 10 1 8 10
+M  V30 11 2 10 11
+M  V30 12 1 10 12
+M  V30 13 1 9 13
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 8)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 13) XBONDS=(1 13) BRKXYZ=(9 0.519500 -0.300150 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
+M  V30 S=LGRP
+M  V30 2 SUP 2 ATOMS=(1 12) XBONDS=(1 12) BRKXYZ=(9 -0.519250 -0.300650 0.000-
+M  V30 000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CL-
+M  V30 ASS=LGRP
+M  V30 3 SUP 3 ATOMS=(11 1 2 3 4 5 6 7 8 9 10 11) XBONDS=(2 13 12) BRKXYZ=(9 -
+M  V30 -0.519500 0.300150 0.000000 0.519250 0.300650 0.000000 0.000000 0.0000-
+M  V30 00 0.000000) LABEL=F CLASS=AA SAP=(3 9 13 Al) SAP=(3 10 12 Br) NATREPL-
+M  V30 ACE=AA/F
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 12 AA/Asn/N/ NATREPLACE=AA/N
+M  V30 BEGIN CTAB
+M  V30 COUNTS 11 10 4 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.8929 -1.4175 0.0 0
+M  V30 2 O 1.8947 -2.5989 0.0 0
+M  V30 3 C 0.6127 -0.6799 0.0 0 CFG=1
+M  V30 4 N -0.6676 -1.4175 0.0 0
+M  V30 5 H -1.6907 -0.8266 0.0 0
+M  V30 6 C 0.6104 0.7978 0.0 0
+M  V30 7 C -0.6698 1.5354 0.0 0
+M  V30 8 N -1.6922 0.9434 0.0 0
+M  V30 9 O -0.6716 2.7168 0.0 0
+M  V30 10 O 2.9153 -0.8255 0.0 0
+M  V30 11 H -2.5341 1.7724 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 2 1
+M  V30 2 1 1 3
+M  V30 3 1 3 4
+M  V30 4 1 4 5
+M  V30 5 1 3 6 CFG=1
+M  V30 6 1 6 7
+M  V30 7 1 7 8
+M  V30 8 2 7 9
+M  V30 9 1 1 10
+M  V30 10 1 8 11
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 3)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 5) XBONDS=(1 4) BRKXYZ=(9 0.511550 -0.295450 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 10) XBONDS=(1 9) BRKXYZ=(9 -0.511200 -0.296000 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLA-
+M  V30 SS=LGRP
+M  V30 3 SUP 3 ATOMS=(1 11) XBONDS=(1 10) BRKXYZ=(9 0.420950 -0.414500 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
+M  V30 S=LGRP
+M  V30 4 SUP 4 ATOMS=(8 1 2 3 4 6 7 8 9) XBONDS=(3 9 4 10) BRKXYZ=(9 0.511200-
+M  V30  0.296000 0.000000 -0.511550 0.295450 0.000000 0.000000 0.000000 0.000-
+M  V30 000) BRKXYZ=(9 -0.420950 0.414500 0.000000 0.000000 0.000000 0.000000 -
+M  V30 0.000000 0.000000 0.000000) LABEL=N CLASS=AA SAP=(3 4 5 Al) SAP=(3 1 1-
+M  V30 0 Br) SAP=(3 8 11 Cx) NATREPLACE=AA/N
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 13 AA/Ile/I/ NATREPLACE=AA/I
+M  V30 BEGIN CTAB
+M  V30 COUNTS 10 9 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C -1.2557 1.6681 0.0 0
+M  V30 2 C 0.0245 0.9304 0.0 0 CFG=1
+M  V30 3 C 0.0268 -0.5472 0.0 0 CFG=2
+M  V30 4 N -1.2536 -1.2849 0.0 0
+M  V30 5 H -2.2766 -0.694 0.0 0
+M  V30 6 C 1.3069 -1.2849 0.0 0
+M  V30 7 O 1.3086 -2.4664 0.0 0
+M  V30 8 O 2.3294 -0.693 0.0 0
+M  V30 9 C 1.047 1.5223 0.0 0
+M  V30 10 C -1.2574 2.8495 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 1 3 2 CFG=1
+M  V30 3 1 3 4
+M  V30 4 1 4 5
+M  V30 5 1 3 6
+M  V30 6 2 6 7
+M  V30 7 1 6 8
+M  V30 8 1 2 9 CFG=3
+M  V30 9 1 1 10
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(2 2 3)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 5) XBONDS=(1 4) BRKXYZ=(9 0.511500 -0.295450 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 8) XBONDS=(1 7) BRKXYZ=(9 -0.511250 -0.295950 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(8 1 2 3 4 6 7 9 10) XBONDS=(2 4 7) BRKXYZ=(9 -0.511500 -
+M  V30 0.295450 0.000000 0.511250 0.295950 0.000000 0.000000 0.000000 0.00000-
+M  V30 0) LABEL=I CLASS=AA SAP=(3 4 5 Al) SAP=(3 6 8 Br) NATREPLACE=AA/I
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 14 AA/Lys/K/ NATREPLACE=AA/K
+M  V30 BEGIN CTAB
+M  V30 COUNTS 12 11 4 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 2.1478 -2.4874 0.0 0
+M  V30 2 C 0.8474 -1.7382 0.0 0 CFG=2
+M  V30 3 C 0.8451 -0.2373 0.0 0
+M  V30 4 C -0.4553 0.5119 0.0 0
+M  V30 5 C -0.4575 2.0128 0.0 0
+M  V30 6 C -1.7579 2.7619 0.0 0
+M  V30 7 N -1.7602 4.2628 0.0 0
+M  V30 8 N -0.453 -2.4874 0.0 0
+M  V30 9 O 2.1495 -3.6875 0.0 0
+M  V30 10 O 3.1863 -1.8862 0.0 0
+M  V30 11 H -1.4921 -1.8873 0.0 0
+M  V30 12 H -2.8 4.8619 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 9 1
+M  V30 2 1 1 2
+M  V30 3 1 1 10
+M  V30 4 1 2 8
+M  V30 5 1 2 3 CFG=1
+M  V30 6 1 3 4
+M  V30 7 1 4 5
+M  V30 8 1 5 6
+M  V30 9 1 6 7
+M  V30 10 1 8 11
+M  V30 11 1 7 12
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 2)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 11) XBONDS=(1 10) BRKXYZ=(9 0.519550 -0.300050 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
+M  V30 S=LGRP
+M  V30 2 SUP 2 ATOMS=(1 10) XBONDS=(1 3) BRKXYZ=(9 -0.519250 -0.300600 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLA-
+M  V30 SS=LGRP
+M  V30 3 SUP 3 ATOMS=(1 12) XBONDS=(1 11) BRKXYZ=(9 0.519900 -0.299550 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
+M  V30 S=LGRP
+M  V30 4 SUP 4 ATOMS=(9 1 2 3 4 5 6 7 8 9) XBONDS=(3 3 11 10) BRKXYZ=(9 0.519-
+M  V30 250 0.300600 0.000000 -0.519900 0.299550 0.000000 0.000000 0.000000 0.-
+M  V30 000000) BRKXYZ=(9 -0.519550 0.300050 0.000000 0.000000 0.000000 0.0000-
+M  V30 00 0.000000 0.000000 0.000000) LABEL=K CLASS=AA SAP=(3 8 11 Al) SAP=(3-
+M  V30  1 10 Br) SAP=(3 7 12 Cx) NATREPLACE=AA/K
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 15 AA/Asp/D/ NATREPLACE=AA/D
+M  V30 BEGIN CTAB
+M  V30 COUNTS 11 10 4 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.631 -1.5578 0.0 0
+M  V30 2 O 1.6327 -2.7392 0.0 0
+M  V30 3 C 0.3507 -0.8201 0.0 0 CFG=1
+M  V30 4 N -0.9295 -1.5578 0.0 0
+M  V30 5 H -1.9525 -0.9669 0.0 0
+M  V30 6 C 0.3485 0.6575 0.0 0
+M  V30 7 C -0.9317 1.3952 0.0 0
+M  V30 8 O -1.9542 0.8032 0.0 0
+M  V30 9 O -0.9335 2.5766 0.0 0
+M  V30 10 O 2.6534 -0.9658 0.0 0
+M  V30 11 H 0.0851 3.1751 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 2 1
+M  V30 2 1 1 3
+M  V30 3 1 3 4
+M  V30 4 1 4 5
+M  V30 5 1 3 6 CFG=1
+M  V30 6 1 6 7
+M  V30 7 2 7 8
+M  V30 8 1 7 9
+M  V30 9 1 1 10
+M  V30 10 1 9 11
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 3)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 5) XBONDS=(1 4) BRKXYZ=(9 0.511500 -0.295450 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 10) XBONDS=(1 9) BRKXYZ=(9 -0.511200 -0.296000 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLA-
+M  V30 SS=LGRP
+M  V30 3 SUP 3 ATOMS=(1 11) XBONDS=(1 10) BRKXYZ=(9 -0.509300 -0.299250 0.000-
+M  V30 000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLA-
+M  V30 SS=LGRP
+M  V30 4 SUP 4 ATOMS=(8 1 2 3 4 6 7 8 9) XBONDS=(3 9 4 10) BRKXYZ=(9 0.511200-
+M  V30  0.296000 0.000000 -0.511500 0.295450 0.000000 0.000000 0.000000 0.000-
+M  V30 000) BRKXYZ=(9 0.509300 0.299250 0.000000 0.000000 0.000000 0.000000 0-
+M  V30 .000000 0.000000 0.000000) LABEL=D CLASS=AA SAP=(3 4 5 Al) SAP=(3 1 10-
+M  V30  Br) SAP=(3 9 11 Cx) NATREPLACE=AA/D
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 16 AA/Thr/T/ NATREPLACE=AA/T
+M  V30 BEGIN CTAB
+M  V30 COUNTS 10 9 4 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.0488 -1.2558 0.0 0
+M  V30 2 O 1.0481 -2.4369 0.0 0
+M  V30 3 C -0.2297 -0.5156 0.0 0 CFG=1
+M  V30 4 N -1.5081 -1.2558 0.0 0
+M  V30 5 H -2.5321 -0.6672 0.0 0
+M  V30 6 C -0.2289 0.9614 0.0 0 CFG=2
+M  V30 7 O 0.7944 1.551 0.0 0
+M  V30 8 C -1.251 1.5531 0.0 0
+M  V30 9 O 2.072 -0.6661 0.0 0
+M  V30 10 H 0.7866 2.7318 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 2 1
+M  V30 2 1 3 1
+M  V30 3 1 3 4
+M  V30 4 1 4 5
+M  V30 5 1 3 6 CFG=1
+M  V30 6 1 6 7 CFG=1
+M  V30 7 1 6 8
+M  V30 8 1 1 9
+M  V30 9 1 7 10
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(2 3 6)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 5) XBONDS=(1 4) BRKXYZ=(9 0.512000 -0.294300 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 9) XBONDS=(1 8) BRKXYZ=(9 -0.511600 -0.294850 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(1 10) XBONDS=(1 9) BRKXYZ=(9 0.003900 -0.590400 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS-
+M  V30 =LGRP
+M  V30 4 SUP 4 ATOMS=(7 1 2 3 4 6 7 8) XBONDS=(3 8 4 9) BRKXYZ=(9 0.511600 0.-
+M  V30 294850 0.000000 -0.512000 0.294300 0.000000 0.000000 0.000000 0.000000-
+M  V30 ) BRKXYZ=(9 -0.003900 0.590400 0.000000 0.000000 0.000000 0.000000 0.0-
+M  V30 00000 0.000000 0.000000) LABEL=T CLASS=AA SAP=(3 4 5 Al) SAP=(3 1 9 Br-
+M  V30 ) SAP=(3 7 10 Cx) NATREPLACE=AA/T
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 17 AA/Tyr/Y/ NATREPLACE=AA/Y
+M  V30 BEGIN CTAB
+M  V30 COUNTS 15 15 4 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 2.2957 -1.9502 0.0 0
+M  V30 2 O 2.2972 -2.8951 0.0 0
+M  V30 3 C 1.2718 -1.3602 0.0 0 CFG=1
+M  V30 4 N 0.2479 -1.9502 0.0 0
+M  V30 5 H -0.5703 -1.4776 0.0 0
+M  V30 6 C 1.2701 -0.1785 0.0 0
+M  V30 7 C 0.2461 0.4114 0.0 0
+M  V30 8 C 0.2426 1.5925 0.0 0
+M  V30 9 C -0.782 2.1801 0.0 0
+M  V30 10 C -1.8031 1.5866 0.0 0
+M  V30 11 C -1.7996 0.4055 0.0 0
+M  V30 12 C -0.7751 -0.182 0.0 0
+M  V30 13 O -2.6228 2.0566 0.0 0
+M  V30 14 O 3.1134 -1.4768 0.0 0
+M  V30 15 H -2.6319 3.2381 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 2 1
+M  V30 2 1 1 3
+M  V30 3 1 3 4
+M  V30 4 1 4 5
+M  V30 5 1 3 6 CFG=1
+M  V30 6 1 6 7
+M  V30 7 1 8 7
+M  V30 8 2 9 8
+M  V30 9 1 10 9
+M  V30 10 2 11 10
+M  V30 11 2 12 7
+M  V30 12 1 12 11
+M  V30 13 1 10 13
+M  V30 14 1 1 14
+M  V30 15 1 13 15
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 3)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 5) XBONDS=(1 4) BRKXYZ=(9 0.409100 -0.236300 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 14) XBONDS=(1 14) BRKXYZ=(9 -0.408850 -0.236700 0.000-
+M  V30 000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CL-
+M  V30 ASS=LGRP
+M  V30 3 SUP 3 ATOMS=(1 15) XBONDS=(1 15) BRKXYZ=(9 0.004550 -0.590750 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
+M  V30 S=LGRP
+M  V30 4 SUP 4 ATOMS=(12 1 2 3 4 6 7 8 9 10 11 12 13) XBONDS=(3 14 4 15) BRKX-
+M  V30 YZ=(9 0.408850 0.236700 0.000000 -0.409100 0.236300 0.000000 0.000000 -
+M  V30 0.000000 0.000000) BRKXYZ=(9 -0.004550 0.590750 0.000000 0.000000 0.00-
+M  V30 0000 0.000000 0.000000 0.000000 0.000000) LABEL=Y CLASS=AA SAP=(3 4 5 -
+M  V30 Al) SAP=(3 1 14 Br) SAP=(3 13 15 Cx) NATREPLACE=AA/Y
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 18 AA/His/H/ NATREPLACE=AA/H
+M  V30 BEGIN CTAB
+M  V30 COUNTS 13 13 4 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.8978 -1.6508 0.0 0
+M  V30 2 O 1.8993 -2.5957 0.0 0
+M  V30 3 C 0.8739 -1.0609 0.0 0 CFG=1
+M  V30 4 N -0.15 -1.6508 0.0 0
+M  V30 5 H -0.9683 -1.1782 0.0 0
+M  V30 6 C 0.872 0.1209 0.0 0
+M  V30 7 C -0.1501 0.7098 0.0 0
+M  V30 8 C -0.2771 1.8841 0.0 0
+M  V30 9 N -1.433 2.1263 0.0 0
+M  V30 10 C -2.0205 1.1016 0.0 0
+M  V30 11 N -1.2277 0.2263 0.0 0
+M  V30 12 O 2.7155 -1.1774 0.0 0
+M  V30 13 H -2.0317 3.1449 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 2 1
+M  V30 2 1 1 3
+M  V30 3 1 3 4
+M  V30 4 1 4 5
+M  V30 5 1 3 6 CFG=1
+M  V30 6 1 6 7
+M  V30 7 2 8 7
+M  V30 8 1 9 8
+M  V30 9 1 10 9
+M  V30 10 1 11 7
+M  V30 11 2 11 10
+M  V30 12 1 1 12
+M  V30 13 1 9 13
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 3)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 5) XBONDS=(1 4) BRKXYZ=(9 0.409150 -0.236300 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 12) XBONDS=(1 12) BRKXYZ=(9 -0.408850 -0.236700 0.000-
+M  V30 000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CL-
+M  V30 ASS=LGRP
+M  V30 3 SUP 3 ATOMS=(1 13) XBONDS=(1 13) BRKXYZ=(9 0.299350 -0.509300 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
+M  V30 S=LGRP
+M  V30 4 SUP 4 ATOMS=(10 1 2 3 4 6 7 8 9 10 11) XBONDS=(3 12 4 13) BRKXYZ=(9 -
+M  V30 0.408850 0.236700 0.000000 -0.409150 0.236300 0.000000 0.000000 0.0000-
+M  V30 00 0.000000) BRKXYZ=(9 -0.299350 0.509300 0.000000 0.000000 0.000000 0-
+M  V30 .000000 0.000000 0.000000 0.000000) LABEL=H CLASS=AA SAP=(3 4 5 Al) SA-
+M  V30 P=(3 1 12 Br) SAP=(3 9 13 Cx) NATREPLACE=AA/H
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 19 AA/Trp/W/ NATREPLACE=AA/W
+M  V30 BEGIN CTAB
+M  V30 COUNTS 17 18 4 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 2.0938 -2.3551 0.0 0
+M  V30 2 O 2.0952 -3.3 0.0 0
+M  V30 3 C 1.0698 -1.7652 0.0 0 CFG=1
+M  V30 4 N 0.0459 -2.3551 0.0 0
+M  V30 5 H -0.7723 -1.8826 0.0 0
+M  V30 6 C 1.068 -0.5835 0.0 0
+M  V30 7 C 0.0458 0.0055 0.0 0
+M  V30 8 C -1.0319 -0.4779 0.0 0
+M  V30 9 N -1.8246 0.3978 0.0 0
+M  V30 10 C -1.237 1.4216 0.0 0
+M  V30 11 C -0.081 1.1793 0.0 0
+M  V30 12 C 0.7068 2.0591 0.0 0
+M  V30 13 C 0.3387 3.1814 0.0 0
+M  V30 14 C -0.8173 3.4238 0.0 0
+M  V30 15 C -1.6051 2.5438 0.0 0
+M  V30 16 O 2.9114 -1.8818 0.0 0
+M  V30 17 H -3.0061 0.3887 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 2 1
+M  V30 2 1 1 3
+M  V30 3 1 3 4
+M  V30 4 1 4 5
+M  V30 5 1 3 6 CFG=1
+M  V30 6 1 6 7
+M  V30 7 2 8 7
+M  V30 8 1 9 8
+M  V30 9 1 10 9
+M  V30 10 1 11 7
+M  V30 11 2 11 10
+M  V30 12 1 11 12
+M  V30 13 2 12 13
+M  V30 14 1 13 14
+M  V30 15 1 15 10
+M  V30 16 2 14 15
+M  V30 17 1 1 16
+M  V30 18 1 9 17
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 3)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 5) XBONDS=(1 4) BRKXYZ=(9 0.409100 -0.236250 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 16) XBONDS=(1 17) BRKXYZ=(9 -0.408800 -0.236650 0.000-
+M  V30 000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CL-
+M  V30 ASS=LGRP
+M  V30 3 SUP 3 ATOMS=(1 17) XBONDS=(1 18) BRKXYZ=(9 0.590750 0.004550 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS-
+M  V30 =LGRP
+M  V30 4 SUP 4 ATOMS=(14 1 2 3 4 6 7 8 9 10 11 12 13 14 15) XBONDS=(3 17 4 18-
+M  V30 ) BRKXYZ=(9 0.408800 0.236650 0.000000 -0.409100 0.236250 0.000000 0.0-
+M  V30 00000 0.000000 0.000000) BRKXYZ=(9 -0.590750 -0.004550 0.000000 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=W CLASS=AA SAP=-
+M  V30 (3 4 5 Al) SAP=(3 1 16 Br) SAP=(3 9 17 Cx) NATREPLACE=AA/W
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 20 AA/Met/M/ NATREPLACE=AA/M
+M  V30 BEGIN CTAB
+M  V30 COUNTS 10 9 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.6657 -1.56 0.0 0
+M  V30 2 N -0.9351 -1.56 0.0 0
+M  V30 3 O 1.6675 -2.76 0.0 0
+M  V30 4 C 0.3653 -0.8107 0.0 0 CFG=1
+M  V30 5 C 0.363 0.6901 0.0 0
+M  V30 6 C -0.9373 1.4394 0.0 0
+M  V30 7 C -1.9794 3.5393 0.0 0
+M  V30 8 S -0.9396 2.9402 0.0 0
+M  V30 9 O 2.7042 -0.9587 0.0 0
+M  V30 10 H -1.9742 -0.9598 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 3 1
+M  V30 2 1 1 4
+M  V30 3 1 1 9
+M  V30 4 1 4 2
+M  V30 5 1 4 5 CFG=1
+M  V30 6 1 5 6
+M  V30 7 1 6 8
+M  V30 8 1 8 7
+M  V30 9 1 2 10
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 4)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 10) XBONDS=(1 9) BRKXYZ=(9 0.519550 -0.300100 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS-
+M  V30 =LGRP
+M  V30 2 SUP 2 ATOMS=(1 9) XBONDS=(1 3) BRKXYZ=(9 -0.519250 -0.300650 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(8 1 2 3 4 5 6 7 8) XBONDS=(2 3 9) BRKXYZ=(9 0.519250 0.-
+M  V30 300650 0.000000 -0.519550 0.300100 0.000000 0.000000 0.000000 0.000000-
+M  V30 ) LABEL=M CLASS=AA SAP=(3 2 10 Al) SAP=(3 1 9 Br) NATREPLACE=AA/M
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 21 AA/Ala/A/ NATREPLACE=AA/A
+M  V30 BEGIN CTAB
+M  V30 COUNTS 7 6 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 N -1.2549 -0.392 0.0 0
+M  V30 2 C -0.272 0.2633 0.0 0 CFG=1
+M  V30 3 C -0.3103 1.7393 0.0 0
+M  V30 4 C 1.0523 -0.392 0.0 0
+M  V30 5 O 1.0829 -1.5722 0.0 0
+M  V30 6 O 2.0353 0.2633 0.0 0
+M  V30 7 H -2.3334 0.0905 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 2 1
+M  V30 2 1 2 3 CFG=1
+M  V30 3 1 2 4
+M  V30 4 2 4 5
+M  V30 5 1 4 6
+M  V30 6 1 1 7
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 2)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 7) XBONDS=(1 6) BRKXYZ=(9 0.539250 -0.241250 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 6) XBONDS=(1 5) BRKXYZ=(9 -0.491500 -0.327650 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(5 1 2 3 4 5) XBONDS=(2 6 5) BRKXYZ=(9 -0.539250 0.24125-
+M  V30 0 0.000000 0.491500 0.327650 0.000000 0.000000 0.000000 0.000000) LABE-
+M  V30 L=A CLASS=AA SAP=(3 1 7 Al) SAP=(3 4 6 Br) NATREPLACE=AA/A
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 END TEMPLATE
+M  END
diff --git a/Code/GraphMol/FileParsers/test_data/macromols/TrastuzumabMaxRegister.mol b/Code/GraphMol/FileParsers/test_data/macromols/TrastuzumabMaxRegister.mol
new file mode 100644
index 000000000..cf38df18b
--- /dev/null
+++ b/Code/GraphMol/FileParsers/test_data/macromols/TrastuzumabMaxRegister.mol
@@ -0,0 +1,2845 @@
+
+  -INDIGO-01212517052D
+
+  0  0  0  0  0  0  0  0  0  0  0 V3000
+M  V30 BEGIN CTAB
+M  V30 COUNTS 922 930 0 0 0
+M  V30 BEGIN ATOM
+M  V30 1 E 1.25 -1.25 0.0 0 CLASS=AA SEQID=1 ATTCHORD=(2 2 Br)
+M  V30 2 V 2.75 -1.25 0.0 0 CLASS=AA SEQID=2 ATTCHORD=(4 1 Al 3 Br)
+M  V30 3 Q 4.25 -1.25 0.0 0 CLASS=AA SEQID=3 ATTCHORD=(4 2 Al 4 Br)
+M  V30 4 L 5.75 -1.25 0.0 0 CLASS=AA SEQID=4 ATTCHORD=(4 3 Al 5 Br)
+M  V30 5 V 7.25 -1.25 0.0 0 CLASS=AA SEQID=5 ATTCHORD=(4 4 Al 6 Br)
+M  V30 6 E 8.75 -1.25 0.0 0 CLASS=AA SEQID=6 ATTCHORD=(4 5 Al 7 Br)
+M  V30 7 S 10.25 -1.25 0.0 0 CLASS=AA SEQID=7 ATTCHORD=(4 6 Al 8 Br)
+M  V30 8 G 11.75 -1.25 0.0 0 CLASS=AA SEQID=8 ATTCHORD=(4 7 Al 9 Br)
+M  V30 9 G 13.25 -1.25 0.0 0 CLASS=AA SEQID=9 ATTCHORD=(4 8 Al 10 Br)
+M  V30 10 G 14.75 -1.25 0.0 0 CLASS=AA SEQID=10 ATTCHORD=(4 9 Al 11 Br)
+M  V30 11 L 16.25 -1.25 0.0 0 CLASS=AA SEQID=11 ATTCHORD=(4 10 Al 12 Br)
+M  V30 12 V 17.75 -1.25 0.0 0 CLASS=AA SEQID=12 ATTCHORD=(4 11 Al 13 Br)
+M  V30 13 Q 19.25 -1.25 0.0 0 CLASS=AA SEQID=13 ATTCHORD=(4 12 Al 14 Br)
+M  V30 14 P 20.75 -1.25 0.0 0 CLASS=AA SEQID=14 ATTCHORD=(4 13 Al 15 Br)
+M  V30 15 G 22.25 -1.25 0.0 0 CLASS=AA SEQID=15 ATTCHORD=(4 14 Al 16 Br)
+M  V30 16 G 23.75 -1.25 0.0 0 CLASS=AA SEQID=16 ATTCHORD=(4 15 Al 17 Br)
+M  V30 17 S 25.25 -1.25 0.0 0 CLASS=AA SEQID=17 ATTCHORD=(4 16 Al 18 Br)
+M  V30 18 L 26.75 -1.25 0.0 0 CLASS=AA SEQID=18 ATTCHORD=(4 17 Al 19 Br)
+M  V30 19 R 28.25 -1.25 0.0 0 CLASS=AA SEQID=19 ATTCHORD=(4 18 Al 20 Br)
+M  V30 20 L 29.75 -1.25 0.0 0 CLASS=AA SEQID=20 ATTCHORD=(4 19 Al 21 Br)
+M  V30 21 S 31.25 -1.25 0.0 0 CLASS=AA SEQID=21 ATTCHORD=(4 20 Al 22 Br)
+M  V30 22 C 32.75 -1.25 0.0 0 CLASS=AA SEQID=22 ATTCHORD=(6 21 Al 23 Br 96 Cx-
+M  V30 )
+M  V30 23 A 34.25 -1.25 0.0 0 CLASS=AA SEQID=23 ATTCHORD=(4 22 Al 24 Br)
+M  V30 24 A 35.75 -1.25 0.0 0 CLASS=AA SEQID=24 ATTCHORD=(4 23 Al 25 Br)
+M  V30 25 S 37.25 -1.25 0.0 0 CLASS=AA SEQID=25 ATTCHORD=(4 24 Al 26 Br)
+M  V30 26 G 1.25 -2.75 0.0 0 CLASS=AA SEQID=26 ATTCHORD=(4 25 Al 27 Br)
+M  V30 27 F 2.75 -2.75 0.0 0 CLASS=AA SEQID=27 ATTCHORD=(4 26 Al 28 Br)
+M  V30 28 N 4.25 -2.75 0.0 0 CLASS=AA SEQID=28 ATTCHORD=(4 27 Al 29 Br)
+M  V30 29 I 5.75 -2.75 0.0 0 CLASS=AA SEQID=29 ATTCHORD=(4 28 Al 30 Br)
+M  V30 30 K 7.25 -2.75 0.0 0 CLASS=AA SEQID=30 ATTCHORD=(4 29 Al 31 Br)
+M  V30 31 D 8.75 -2.75 0.0 0 CLASS=AA SEQID=31 ATTCHORD=(4 30 Al 32 Br)
+M  V30 32 T 10.25 -2.75 0.0 0 CLASS=AA SEQID=32 ATTCHORD=(4 31 Al 33 Br)
+M  V30 33 Y 11.75 -2.75 0.0 0 CLASS=AA SEQID=33 ATTCHORD=(4 32 Al 34 Br)
+M  V30 34 I 13.25 -2.75 0.0 0 CLASS=AA SEQID=34 ATTCHORD=(4 33 Al 35 Br)
+M  V30 35 H 14.75 -2.75 0.0 0 CLASS=AA SEQID=35 ATTCHORD=(4 34 Al 36 Br)
+M  V30 36 W 16.25 -2.75 0.0 0 CLASS=AA SEQID=36 ATTCHORD=(4 35 Al 37 Br)
+M  V30 37 V 17.75 -2.75 0.0 0 CLASS=AA SEQID=37 ATTCHORD=(4 36 Al 38 Br)
+M  V30 38 R 19.25 -2.75 0.0 0 CLASS=AA SEQID=38 ATTCHORD=(4 37 Al 39 Br)
+M  V30 39 Q 20.75 -2.75 0.0 0 CLASS=AA SEQID=39 ATTCHORD=(4 38 Al 40 Br)
+M  V30 40 A 22.25 -2.75 0.0 0 CLASS=AA SEQID=40 ATTCHORD=(4 39 Al 41 Br)
+M  V30 41 P 23.75 -2.75 0.0 0 CLASS=AA SEQID=41 ATTCHORD=(4 40 Al 42 Br)
+M  V30 42 G 25.25 -2.75 0.0 0 CLASS=AA SEQID=42 ATTCHORD=(4 41 Al 43 Br)
+M  V30 43 K 26.75 -2.75 0.0 0 CLASS=AA SEQID=43 ATTCHORD=(4 42 Al 44 Br)
+M  V30 44 G 28.25 -2.75 0.0 0 CLASS=AA SEQID=44 ATTCHORD=(4 43 Al 45 Br)
+M  V30 45 L 29.75 -2.75 0.0 0 CLASS=AA SEQID=45 ATTCHORD=(4 44 Al 46 Br)
+M  V30 46 E 31.25 -2.75 0.0 0 CLASS=AA SEQID=46 ATTCHORD=(4 45 Al 47 Br)
+M  V30 47 W 32.75 -2.75 0.0 0 CLASS=AA SEQID=47 ATTCHORD=(4 46 Al 48 Br)
+M  V30 48 V 34.25 -2.75 0.0 0 CLASS=AA SEQID=48 ATTCHORD=(4 47 Al 49 Br)
+M  V30 49 A 35.75 -2.75 0.0 0 CLASS=AA SEQID=49 ATTCHORD=(4 48 Al 50 Br)
+M  V30 50 R 37.25 -2.75 0.0 0 CLASS=AA SEQID=50 ATTCHORD=(4 49 Al 51 Br)
+M  V30 51 I 1.25 -4.25 0.0 0 CLASS=AA SEQID=51 ATTCHORD=(4 50 Al 52 Br)
+M  V30 52 Y 2.75 -4.25 0.0 0 CLASS=AA SEQID=52 ATTCHORD=(4 51 Al 53 Br)
+M  V30 53 P 4.25 -4.25 0.0 0 CLASS=AA SEQID=53 ATTCHORD=(4 52 Al 54 Br)
+M  V30 54 T 5.75 -4.25 0.0 0 CLASS=AA SEQID=54 ATTCHORD=(4 53 Al 55 Br)
+M  V30 55 N 7.25 -4.25 0.0 0 CLASS=AA SEQID=55 ATTCHORD=(4 54 Al 56 Br)
+M  V30 56 G 8.75 -4.25 0.0 0 CLASS=AA SEQID=56 ATTCHORD=(4 55 Al 57 Br)
+M  V30 57 Y 10.25 -4.25 0.0 0 CLASS=AA SEQID=57 ATTCHORD=(4 56 Al 58 Br)
+M  V30 58 T 11.75 -4.25 0.0 0 CLASS=AA SEQID=58 ATTCHORD=(4 57 Al 59 Br)
+M  V30 59 R 13.25 -4.25 0.0 0 CLASS=AA SEQID=59 ATTCHORD=(4 58 Al 60 Br)
+M  V30 60 Y 14.75 -4.25 0.0 0 CLASS=AA SEQID=60 ATTCHORD=(4 59 Al 61 Br)
+M  V30 61 A 16.25 -4.25 0.0 0 CLASS=AA SEQID=61 ATTCHORD=(4 60 Al 62 Br)
+M  V30 62 D 17.75 -4.25 0.0 0 CLASS=AA SEQID=62 ATTCHORD=(4 61 Al 63 Br)
+M  V30 63 S 19.25 -4.25 0.0 0 CLASS=AA SEQID=63 ATTCHORD=(4 62 Al 64 Br)
+M  V30 64 V 20.75 -4.25 0.0 0 CLASS=AA SEQID=64 ATTCHORD=(4 63 Al 65 Br)
+M  V30 65 K 22.25 -4.25 0.0 0 CLASS=AA SEQID=65 ATTCHORD=(4 64 Al 66 Br)
+M  V30 66 G 23.75 -4.25 0.0 0 CLASS=AA SEQID=66 ATTCHORD=(4 65 Al 67 Br)
+M  V30 67 R 25.25 -4.25 0.0 0 CLASS=AA SEQID=67 ATTCHORD=(4 66 Al 68 Br)
+M  V30 68 F 26.75 -4.25 0.0 0 CLASS=AA SEQID=68 ATTCHORD=(4 67 Al 69 Br)
+M  V30 69 T 28.25 -4.25 0.0 0 CLASS=AA SEQID=69 ATTCHORD=(4 68 Al 70 Br)
+M  V30 70 I 29.75 -4.25 0.0 0 CLASS=AA SEQID=70 ATTCHORD=(4 69 Al 71 Br)
+M  V30 71 S 31.25 -4.25 0.0 0 CLASS=AA SEQID=71 ATTCHORD=(4 70 Al 72 Br)
+M  V30 72 A 32.75 -4.25 0.0 0 CLASS=AA SEQID=72 ATTCHORD=(4 71 Al 73 Br)
+M  V30 73 D 34.25 -4.25 0.0 0 CLASS=AA SEQID=73 ATTCHORD=(4 72 Al 74 Br)
+M  V30 74 T 35.75 -4.25 0.0 0 CLASS=AA SEQID=74 ATTCHORD=(4 73 Al 75 Br)
+M  V30 75 S 37.25 -4.25 0.0 0 CLASS=AA SEQID=75 ATTCHORD=(4 74 Al 76 Br)
+M  V30 76 K 1.25 -5.75 0.0 0 CLASS=AA SEQID=76 ATTCHORD=(4 75 Al 77 Br)
+M  V30 77 N 2.75 -5.75 0.0 0 CLASS=AA SEQID=77 ATTCHORD=(4 76 Al 78 Br)
+M  V30 78 T 4.25 -5.75 0.0 0 CLASS=AA SEQID=78 ATTCHORD=(4 77 Al 79 Br)
+M  V30 79 A 5.75 -5.75 0.0 0 CLASS=AA SEQID=79 ATTCHORD=(4 78 Al 80 Br)
+M  V30 80 Y 7.25 -5.75 0.0 0 CLASS=AA SEQID=80 ATTCHORD=(4 79 Al 81 Br)
+M  V30 81 L 8.75 -5.75 0.0 0 CLASS=AA SEQID=81 ATTCHORD=(4 80 Al 82 Br)
+M  V30 82 Q 10.25 -5.75 0.0 0 CLASS=AA SEQID=82 ATTCHORD=(4 81 Al 83 Br)
+M  V30 83 M 11.75 -5.75 0.0 0 CLASS=AA SEQID=83 ATTCHORD=(4 82 Al 84 Br)
+M  V30 84 N 13.25 -5.75 0.0 0 CLASS=AA SEQID=84 ATTCHORD=(4 83 Al 85 Br)
+M  V30 85 S 14.75 -5.75 0.0 0 CLASS=AA SEQID=85 ATTCHORD=(4 84 Al 86 Br)
+M  V30 86 L 16.25 -5.75 0.0 0 CLASS=AA SEQID=86 ATTCHORD=(4 85 Al 87 Br)
+M  V30 87 R 17.75 -5.75 0.0 0 CLASS=AA SEQID=87 ATTCHORD=(4 86 Al 88 Br)
+M  V30 88 A 19.25 -5.75 0.0 0 CLASS=AA SEQID=88 ATTCHORD=(4 87 Al 89 Br)
+M  V30 89 E 20.75 -5.75 0.0 0 CLASS=AA SEQID=89 ATTCHORD=(4 88 Al 90 Br)
+M  V30 90 D 22.25 -5.75 0.0 0 CLASS=AA SEQID=90 ATTCHORD=(4 89 Al 91 Br)
+M  V30 91 T 23.75 -5.75 0.0 0 CLASS=AA SEQID=91 ATTCHORD=(4 90 Al 92 Br)
+M  V30 92 A 25.25 -5.75 0.0 0 CLASS=AA SEQID=92 ATTCHORD=(4 91 Al 93 Br)
+M  V30 93 V 26.75 -5.75 0.0 0 CLASS=AA SEQID=93 ATTCHORD=(4 92 Al 94 Br)
+M  V30 94 Y 28.25 -5.75 0.0 0 CLASS=AA SEQID=94 ATTCHORD=(4 93 Al 95 Br)
+M  V30 95 Y 29.75 -5.75 0.0 0 CLASS=AA SEQID=95 ATTCHORD=(4 94 Al 96 Br)
+M  V30 96 C 31.25 -5.75 0.0 0 CLASS=AA SEQID=96 ATTCHORD=(6 95 Al 97 Br 22 Cx-
+M  V30 )
+M  V30 97 S 32.75 -5.75 0.0 0 CLASS=AA SEQID=97 ATTCHORD=(4 96 Al 98 Br)
+M  V30 98 R 34.25 -5.75 0.0 0 CLASS=AA SEQID=98 ATTCHORD=(4 97 Al 99 Br)
+M  V30 99 W 35.75 -5.75 0.0 0 CLASS=AA SEQID=99 ATTCHORD=(4 98 Al 100 Br)
+M  V30 100 G 37.25 -5.75 0.0 0 CLASS=AA SEQID=100 ATTCHORD=(4 99 Al 101 Br)
+M  V30 101 G 1.25 -7.25 0.0 0 CLASS=AA SEQID=101 ATTCHORD=(4 100 Al 102 Br)
+M  V30 102 D 2.75 -7.25 0.0 0 CLASS=AA SEQID=102 ATTCHORD=(4 101 Al 103 Br)
+M  V30 103 G 4.25 -7.25 0.0 0 CLASS=AA SEQID=103 ATTCHORD=(4 102 Al 104 Br)
+M  V30 104 F 5.75 -7.25 0.0 0 CLASS=AA SEQID=104 ATTCHORD=(4 103 Al 105 Br)
+M  V30 105 Y 7.25 -7.25 0.0 0 CLASS=AA SEQID=105 ATTCHORD=(4 104 Al 106 Br)
+M  V30 106 A 8.75 -7.25 0.0 0 CLASS=AA SEQID=106 ATTCHORD=(4 105 Al 107 Br)
+M  V30 107 M 10.25 -7.25 0.0 0 CLASS=AA SEQID=107 ATTCHORD=(4 106 Al 108 Br)
+M  V30 108 D 11.75 -7.25 0.0 0 CLASS=AA SEQID=108 ATTCHORD=(4 107 Al 109 Br)
+M  V30 109 Y 13.25 -7.25 0.0 0 CLASS=AA SEQID=109 ATTCHORD=(4 108 Al 110 Br)
+M  V30 110 W 14.75 -7.25 0.0 0 CLASS=AA SEQID=110 ATTCHORD=(4 109 Al 111 Br)
+M  V30 111 G 16.25 -7.25 0.0 0 CLASS=AA SEQID=111 ATTCHORD=(4 110 Al 112 Br)
+M  V30 112 Q 17.75 -7.25 0.0 0 CLASS=AA SEQID=112 ATTCHORD=(4 111 Al 113 Br)
+M  V30 113 G 19.25 -7.25 0.0 0 CLASS=AA SEQID=113 ATTCHORD=(4 112 Al 114 Br)
+M  V30 114 T 20.75 -7.25 0.0 0 CLASS=AA SEQID=114 ATTCHORD=(4 113 Al 115 Br)
+M  V30 115 L 22.25 -7.25 0.0 0 CLASS=AA SEQID=115 ATTCHORD=(4 114 Al 116 Br)
+M  V30 116 V 23.75 -7.25 0.0 0 CLASS=AA SEQID=116 ATTCHORD=(4 115 Al 117 Br)
+M  V30 117 T 25.25 -7.25 0.0 0 CLASS=AA SEQID=117 ATTCHORD=(4 116 Al 118 Br)
+M  V30 118 V 26.75 -7.25 0.0 0 CLASS=AA SEQID=118 ATTCHORD=(4 117 Al 119 Br)
+M  V30 119 S 28.25 -7.25 0.0 0 CLASS=AA SEQID=119 ATTCHORD=(4 118 Al 120 Br)
+M  V30 120 S 29.75 -7.25 0.0 0 CLASS=AA SEQID=120 ATTCHORD=(4 119 Al 121 Br)
+M  V30 121 A 31.25 -7.25 0.0 0 CLASS=AA SEQID=121 ATTCHORD=(4 120 Al 122 Br)
+M  V30 122 S 32.75 -7.25 0.0 0 CLASS=AA SEQID=122 ATTCHORD=(4 121 Al 123 Br)
+M  V30 123 T 34.25 -7.25 0.0 0 CLASS=AA SEQID=123 ATTCHORD=(4 122 Al 124 Br)
+M  V30 124 K 35.75 -7.25 0.0 0 CLASS=AA SEQID=124 ATTCHORD=(4 123 Al 125 Br)
+M  V30 125 G 37.25 -7.25 0.0 0 CLASS=AA SEQID=125 ATTCHORD=(4 124 Al 126 Br)
+M  V30 126 P 1.25 -8.75 0.0 0 CLASS=AA SEQID=126 ATTCHORD=(4 125 Al 127 Br)
+M  V30 127 S 2.75 -8.75 0.0 0 CLASS=AA SEQID=127 ATTCHORD=(4 126 Al 128 Br)
+M  V30 128 V 4.25 -8.75 0.0 0 CLASS=AA SEQID=128 ATTCHORD=(4 127 Al 129 Br)
+M  V30 129 F 5.75 -8.75 0.0 0 CLASS=AA SEQID=129 ATTCHORD=(4 128 Al 130 Br)
+M  V30 130 P 7.25 -8.75 0.0 0 CLASS=AA SEQID=130 ATTCHORD=(4 129 Al 131 Br)
+M  V30 131 L 8.75 -8.75 0.0 0 CLASS=AA SEQID=131 ATTCHORD=(4 130 Al 132 Br)
+M  V30 132 A 10.25 -8.75 0.0 0 CLASS=AA SEQID=132 ATTCHORD=(4 131 Al 133 Br)
+M  V30 133 P 11.75 -8.75 0.0 0 CLASS=AA SEQID=133 ATTCHORD=(4 132 Al 134 Br)
+M  V30 134 S 13.25 -8.75 0.0 0 CLASS=AA SEQID=134 ATTCHORD=(4 133 Al 135 Br)
+M  V30 135 S 14.75 -8.75 0.0 0 CLASS=AA SEQID=135 ATTCHORD=(4 134 Al 136 Br)
+M  V30 136 K 16.25 -8.75 0.0 0 CLASS=AA SEQID=136 ATTCHORD=(4 135 Al 137 Br)
+M  V30 137 S 17.75 -8.75 0.0 0 CLASS=AA SEQID=137 ATTCHORD=(4 136 Al 138 Br)
+M  V30 138 T 19.25 -8.75 0.0 0 CLASS=AA SEQID=138 ATTCHORD=(4 137 Al 139 Br)
+M  V30 139 S 20.75 -8.75 0.0 0 CLASS=AA SEQID=139 ATTCHORD=(4 138 Al 140 Br)
+M  V30 140 G 22.25 -8.75 0.0 0 CLASS=AA SEQID=140 ATTCHORD=(4 139 Al 141 Br)
+M  V30 141 G 23.75 -8.75 0.0 0 CLASS=AA SEQID=141 ATTCHORD=(4 140 Al 142 Br)
+M  V30 142 T 25.25 -8.75 0.0 0 CLASS=AA SEQID=142 ATTCHORD=(4 141 Al 143 Br)
+M  V30 143 A 26.75 -8.75 0.0 0 CLASS=AA SEQID=143 ATTCHORD=(4 142 Al 144 Br)
+M  V30 144 A 28.25 -8.75 0.0 0 CLASS=AA SEQID=144 ATTCHORD=(4 143 Al 145 Br)
+M  V30 145 L 29.75 -8.75 0.0 0 CLASS=AA SEQID=145 ATTCHORD=(4 144 Al 146 Br)
+M  V30 146 G 31.25 -8.75 0.0 0 CLASS=AA SEQID=146 ATTCHORD=(4 145 Al 147 Br)
+M  V30 147 C 32.75 -8.75 0.0 0 CLASS=AA SEQID=147 ATTCHORD=(6 146 Al 148 Br 2-
+M  V30 03 Cx)
+M  V30 148 L 34.25 -8.75 0.0 0 CLASS=AA SEQID=148 ATTCHORD=(4 147 Al 149 Br)
+M  V30 149 V 35.75 -8.75 0.0 0 CLASS=AA SEQID=149 ATTCHORD=(4 148 Al 150 Br)
+M  V30 150 K 37.25 -8.75 0.0 0 CLASS=AA SEQID=150 ATTCHORD=(4 149 Al 151 Br)
+M  V30 151 D 1.25 -10.25 0.0 0 CLASS=AA SEQID=151 ATTCHORD=(4 150 Al 152 Br)
+M  V30 152 Y 2.75 -10.25 0.0 0 CLASS=AA SEQID=152 ATTCHORD=(4 151 Al 153 Br)
+M  V30 153 F 4.25 -10.25 0.0 0 CLASS=AA SEQID=153 ATTCHORD=(4 152 Al 154 Br)
+M  V30 154 P 5.75 -10.25 0.0 0 CLASS=AA SEQID=154 ATTCHORD=(4 153 Al 155 Br)
+M  V30 155 E 7.25 -10.25 0.0 0 CLASS=AA SEQID=155 ATTCHORD=(4 154 Al 156 Br)
+M  V30 156 P 8.75 -10.25 0.0 0 CLASS=AA SEQID=156 ATTCHORD=(4 155 Al 157 Br)
+M  V30 157 V 10.25 -10.25 0.0 0 CLASS=AA SEQID=157 ATTCHORD=(4 156 Al 158 Br)
+M  V30 158 T 11.75 -10.25 0.0 0 CLASS=AA SEQID=158 ATTCHORD=(4 157 Al 159 Br)
+M  V30 159 V 13.25 -10.25 0.0 0 CLASS=AA SEQID=159 ATTCHORD=(4 158 Al 160 Br)
+M  V30 160 S 14.75 -10.25 0.0 0 CLASS=AA SEQID=160 ATTCHORD=(4 159 Al 161 Br)
+M  V30 161 W 16.25 -10.25 0.0 0 CLASS=AA SEQID=161 ATTCHORD=(4 160 Al 162 Br)
+M  V30 162 N 17.75 -10.25 0.0 0 CLASS=AA SEQID=162 ATTCHORD=(4 161 Al 163 Br)
+M  V30 163 S 19.25 -10.25 0.0 0 CLASS=AA SEQID=163 ATTCHORD=(4 162 Al 164 Br)
+M  V30 164 G 20.75 -10.25 0.0 0 CLASS=AA SEQID=164 ATTCHORD=(4 163 Al 165 Br)
+M  V30 165 A 22.25 -10.25 0.0 0 CLASS=AA SEQID=165 ATTCHORD=(4 164 Al 166 Br)
+M  V30 166 L 23.75 -10.25 0.0 0 CLASS=AA SEQID=166 ATTCHORD=(4 165 Al 167 Br)
+M  V30 167 T 25.25 -10.25 0.0 0 CLASS=AA SEQID=167 ATTCHORD=(4 166 Al 168 Br)
+M  V30 168 S 26.75 -10.25 0.0 0 CLASS=AA SEQID=168 ATTCHORD=(4 167 Al 169 Br)
+M  V30 169 G 28.25 -10.25 0.0 0 CLASS=AA SEQID=169 ATTCHORD=(4 168 Al 170 Br)
+M  V30 170 V 29.75 -10.25 0.0 0 CLASS=AA SEQID=170 ATTCHORD=(4 169 Al 171 Br)
+M  V30 171 H 31.25 -10.25 0.0 0 CLASS=AA SEQID=171 ATTCHORD=(4 170 Al 172 Br)
+M  V30 172 T 32.75 -10.25 0.0 0 CLASS=AA SEQID=172 ATTCHORD=(4 171 Al 173 Br)
+M  V30 173 F 34.25 -10.25 0.0 0 CLASS=AA SEQID=173 ATTCHORD=(4 172 Al 174 Br)
+M  V30 174 P 35.75 -10.25 0.0 0 CLASS=AA SEQID=174 ATTCHORD=(4 173 Al 175 Br)
+M  V30 175 A 37.25 -10.25 0.0 0 CLASS=AA SEQID=175 ATTCHORD=(4 174 Al 176 Br)
+M  V30 176 V 1.25 -11.75 0.0 0 CLASS=AA SEQID=176 ATTCHORD=(4 175 Al 177 Br)
+M  V30 177 L 2.75 -11.75 0.0 0 CLASS=AA SEQID=177 ATTCHORD=(4 176 Al 178 Br)
+M  V30 178 Q 4.25 -11.75 0.0 0 CLASS=AA SEQID=178 ATTCHORD=(4 177 Al 179 Br)
+M  V30 179 S 5.75 -11.75 0.0 0 CLASS=AA SEQID=179 ATTCHORD=(4 178 Al 180 Br)
+M  V30 180 S 7.25 -11.75 0.0 0 CLASS=AA SEQID=180 ATTCHORD=(4 179 Al 181 Br)
+M  V30 181 G 8.75 -11.75 0.0 0 CLASS=AA SEQID=181 ATTCHORD=(4 180 Al 182 Br)
+M  V30 182 L 10.25 -11.75 0.0 0 CLASS=AA SEQID=182 ATTCHORD=(4 181 Al 183 Br)
+M  V30 183 Y 11.75 -11.75 0.0 0 CLASS=AA SEQID=183 ATTCHORD=(4 182 Al 184 Br)
+M  V30 184 S 13.25 -11.75 0.0 0 CLASS=AA SEQID=184 ATTCHORD=(4 183 Al 185 Br)
+M  V30 185 L 14.75 -11.75 0.0 0 CLASS=AA SEQID=185 ATTCHORD=(4 184 Al 186 Br)
+M  V30 186 S 16.25 -11.75 0.0 0 CLASS=AA SEQID=186 ATTCHORD=(4 185 Al 187 Br)
+M  V30 187 S 17.75 -11.75 0.0 0 CLASS=AA SEQID=187 ATTCHORD=(4 186 Al 188 Br)
+M  V30 188 V 19.25 -11.75 0.0 0 CLASS=AA SEQID=188 ATTCHORD=(4 187 Al 189 Br)
+M  V30 189 V 20.75 -11.75 0.0 0 CLASS=AA SEQID=189 ATTCHORD=(4 188 Al 190 Br)
+M  V30 190 T 22.25 -11.75 0.0 0 CLASS=AA SEQID=190 ATTCHORD=(4 189 Al 191 Br)
+M  V30 191 V 23.75 -11.75 0.0 0 CLASS=AA SEQID=191 ATTCHORD=(4 190 Al 192 Br)
+M  V30 192 P 25.25 -11.75 0.0 0 CLASS=AA SEQID=192 ATTCHORD=(4 191 Al 193 Br)
+M  V30 193 S 26.75 -11.75 0.0 0 CLASS=AA SEQID=193 ATTCHORD=(4 192 Al 194 Br)
+M  V30 194 S 28.25 -11.75 0.0 0 CLASS=AA SEQID=194 ATTCHORD=(4 193 Al 195 Br)
+M  V30 195 S 29.75 -11.75 0.0 0 CLASS=AA SEQID=195 ATTCHORD=(4 194 Al 196 Br)
+M  V30 196 L 31.25 -11.75 0.0 0 CLASS=AA SEQID=196 ATTCHORD=(4 195 Al 197 Br)
+M  V30 197 G 32.75 -11.75 0.0 0 CLASS=AA SEQID=197 ATTCHORD=(4 196 Al 198 Br)
+M  V30 198 T 34.25 -11.75 0.0 0 CLASS=AA SEQID=198 ATTCHORD=(4 197 Al 199 Br)
+M  V30 199 Q 35.75 -11.75 0.0 0 CLASS=AA SEQID=199 ATTCHORD=(4 198 Al 200 Br)
+M  V30 200 T 37.25 -11.75 0.0 0 CLASS=AA SEQID=200 ATTCHORD=(4 199 Al 201 Br)
+M  V30 201 Y 1.25 -13.25 0.0 0 CLASS=AA SEQID=201 ATTCHORD=(4 200 Al 202 Br)
+M  V30 202 I 2.75 -13.25 0.0 0 CLASS=AA SEQID=202 ATTCHORD=(4 201 Al 203 Br)
+M  V30 203 C 4.25 -13.25 0.0 0 CLASS=AA SEQID=203 ATTCHORD=(6 202 Al 204 Br 1-
+M  V30 47 Cx)
+M  V30 204 N 5.75 -13.25 0.0 0 CLASS=AA SEQID=204 ATTCHORD=(4 203 Al 205 Br)
+M  V30 205 V 7.25 -13.25 0.0 0 CLASS=AA SEQID=205 ATTCHORD=(4 204 Al 206 Br)
+M  V30 206 N 8.75 -13.25 0.0 0 CLASS=AA SEQID=206 ATTCHORD=(4 205 Al 207 Br)
+M  V30 207 H 10.25 -13.25 0.0 0 CLASS=AA SEQID=207 ATTCHORD=(4 206 Al 208 Br)
+M  V30 208 K 11.75 -13.25 0.0 0 CLASS=AA SEQID=208 ATTCHORD=(4 207 Al 209 Br)
+M  V30 209 P 13.25 -13.25 0.0 0 CLASS=AA SEQID=209 ATTCHORD=(4 208 Al 210 Br)
+M  V30 210 S 14.75 -13.25 0.0 0 CLASS=AA SEQID=210 ATTCHORD=(4 209 Al 211 Br)
+M  V30 211 N 16.25 -13.25 0.0 0 CLASS=AA SEQID=211 ATTCHORD=(4 210 Al 212 Br)
+M  V30 212 T 17.75 -13.25 0.0 0 CLASS=AA SEQID=212 ATTCHORD=(4 211 Al 213 Br)
+M  V30 213 K 19.25 -13.25 0.0 0 CLASS=AA SEQID=213 ATTCHORD=(4 212 Al 214 Br)
+M  V30 214 V 20.75 -13.25 0.0 0 CLASS=AA SEQID=214 ATTCHORD=(4 213 Al 215 Br)
+M  V30 215 D 22.25 -13.25 0.0 0 CLASS=AA SEQID=215 ATTCHORD=(4 214 Al 216 Br)
+M  V30 216 K 23.75 -13.25 0.0 0 CLASS=AA SEQID=216 ATTCHORD=(4 215 Al 217 Br)
+M  V30 217 K 25.25 -13.25 0.0 0 CLASS=AA SEQID=217 ATTCHORD=(4 216 Al 218 Br)
+M  V30 218 V 26.75 -13.25 0.0 0 CLASS=AA SEQID=218 ATTCHORD=(4 217 Al 219 Br)
+M  V30 219 E 28.25 -13.25 0.0 0 CLASS=AA SEQID=219 ATTCHORD=(4 218 Al 220 Br)
+M  V30 220 P 29.75 -13.25 0.0 0 CLASS=AA SEQID=220 ATTCHORD=(4 219 Al 221 Br)
+M  V30 221 K 31.25 -13.25 0.0 0 CLASS=AA SEQID=221 ATTCHORD=(4 220 Al 222 Br)
+M  V30 222 S 32.75 -13.25 0.0 0 CLASS=AA SEQID=222 ATTCHORD=(4 221 Al 223 Br)
+M  V30 223 C 34.25 -13.25 0.0 0 CLASS=AA SEQID=223 ATTCHORD=(6 222 Al 224 Br -
+M  V30 611 Cx)
+M  V30 224 D 35.75 -13.25 0.0 0 CLASS=AA SEQID=224 ATTCHORD=(4 223 Al 225 Br)
+M  V30 225 K 37.25 -13.25 0.0 0 CLASS=AA SEQID=225 ATTCHORD=(4 224 Al 226 Br)
+M  V30 226 T 1.25 -14.75 0.0 0 CLASS=AA SEQID=226 ATTCHORD=(4 225 Al 227 Br)
+M  V30 227 H 2.75 -14.75 0.0 0 CLASS=AA SEQID=227 ATTCHORD=(4 226 Al 228 Br)
+M  V30 228 T 4.25 -14.75 0.0 0 CLASS=AA SEQID=228 ATTCHORD=(4 227 Al 229 Br)
+M  V30 229 C 5.75 -14.75 0.0 0 CLASS=AA SEQID=229 ATTCHORD=(6 228 Al 230 Br 6-
+M  V30 80 Cx)
+M  V30 230 P 7.25 -14.75 0.0 0 CLASS=AA SEQID=230 ATTCHORD=(4 229 Al 231 Br)
+M  V30 231 P 8.75 -14.75 0.0 0 CLASS=AA SEQID=231 ATTCHORD=(4 230 Al 232 Br)
+M  V30 232 C 10.25 -14.75 0.0 0 CLASS=AA SEQID=232 ATTCHORD=(6 231 Al 233 Br -
+M  V30 683 Cx)
+M  V30 233 P 11.75 -14.75 0.0 0 CLASS=AA SEQID=233 ATTCHORD=(4 232 Al 234 Br)
+M  V30 234 A 13.25 -14.75 0.0 0 CLASS=AA SEQID=234 ATTCHORD=(4 233 Al 235 Br)
+M  V30 235 P 14.75 -14.75 0.0 0 CLASS=AA SEQID=235 ATTCHORD=(4 234 Al 236 Br)
+M  V30 236 E 16.25 -14.75 0.0 0 CLASS=AA SEQID=236 ATTCHORD=(4 235 Al 237 Br)
+M  V30 237 L 17.75 -14.75 0.0 0 CLASS=AA SEQID=237 ATTCHORD=(4 236 Al 238 Br)
+M  V30 238 L 19.25 -14.75 0.0 0 CLASS=AA SEQID=238 ATTCHORD=(4 237 Al 239 Br)
+M  V30 239 G 20.75 -14.75 0.0 0 CLASS=AA SEQID=239 ATTCHORD=(4 238 Al 240 Br)
+M  V30 240 G 22.25 -14.75 0.0 0 CLASS=AA SEQID=240 ATTCHORD=(4 239 Al 241 Br)
+M  V30 241 P 23.75 -14.75 0.0 0 CLASS=AA SEQID=241 ATTCHORD=(4 240 Al 242 Br)
+M  V30 242 S 25.25 -14.75 0.0 0 CLASS=AA SEQID=242 ATTCHORD=(4 241 Al 243 Br)
+M  V30 243 V 26.75 -14.75 0.0 0 CLASS=AA SEQID=243 ATTCHORD=(4 242 Al 244 Br)
+M  V30 244 F 28.25 -14.75 0.0 0 CLASS=AA SEQID=244 ATTCHORD=(4 243 Al 245 Br)
+M  V30 245 L 29.75 -14.75 0.0 0 CLASS=AA SEQID=245 ATTCHORD=(4 244 Al 246 Br)
+M  V30 246 F 31.25 -14.75 0.0 0 CLASS=AA SEQID=246 ATTCHORD=(4 245 Al 247 Br)
+M  V30 247 P 32.75 -14.75 0.0 0 CLASS=AA SEQID=247 ATTCHORD=(4 246 Al 248 Br)
+M  V30 248 P 34.25 -14.75 0.0 0 CLASS=AA SEQID=248 ATTCHORD=(4 247 Al 249 Br)
+M  V30 249 K 35.75 -14.75 0.0 0 CLASS=AA SEQID=249 ATTCHORD=(4 248 Al 250 Br)
+M  V30 250 P 37.25 -14.75 0.0 0 CLASS=AA SEQID=250 ATTCHORD=(4 249 Al 251 Br)
+M  V30 251 K 1.25 -16.25 0.0 0 CLASS=AA SEQID=251 ATTCHORD=(4 250 Al 252 Br)
+M  V30 252 D 2.75 -16.25 0.0 0 CLASS=AA SEQID=252 ATTCHORD=(4 251 Al 253 Br)
+M  V30 253 T 4.25 -16.25 0.0 0 CLASS=AA SEQID=253 ATTCHORD=(4 252 Al 254 Br)
+M  V30 254 L 5.75 -16.25 0.0 0 CLASS=AA SEQID=254 ATTCHORD=(4 253 Al 255 Br)
+M  V30 255 M 7.25 -16.25 0.0 0 CLASS=AA SEQID=255 ATTCHORD=(4 254 Al 256 Br)
+M  V30 256 I 8.75 -16.25 0.0 0 CLASS=AA SEQID=256 ATTCHORD=(4 255 Al 257 Br)
+M  V30 257 S 10.25 -16.25 0.0 0 CLASS=AA SEQID=257 ATTCHORD=(4 256 Al 258 Br)
+M  V30 258 R 11.75 -16.25 0.0 0 CLASS=AA SEQID=258 ATTCHORD=(4 257 Al 259 Br)
+M  V30 259 T 13.25 -16.25 0.0 0 CLASS=AA SEQID=259 ATTCHORD=(4 258 Al 260 Br)
+M  V30 260 P 14.75 -16.25 0.0 0 CLASS=AA SEQID=260 ATTCHORD=(4 259 Al 261 Br)
+M  V30 261 E 16.25 -16.25 0.0 0 CLASS=AA SEQID=261 ATTCHORD=(4 260 Al 262 Br)
+M  V30 262 V 17.75 -16.25 0.0 0 CLASS=AA SEQID=262 ATTCHORD=(4 261 Al 263 Br)
+M  V30 263 T 19.25 -16.25 0.0 0 CLASS=AA SEQID=263 ATTCHORD=(4 262 Al 264 Br)
+M  V30 264 C 20.75 -16.25 0.0 0 CLASS=AA SEQID=264 ATTCHORD=(6 263 Al 265 Br -
+M  V30 324 Cx)
+M  V30 265 V 22.25 -16.25 0.0 0 CLASS=AA SEQID=265 ATTCHORD=(4 264 Al 266 Br)
+M  V30 266 V 23.75 -16.25 0.0 0 CLASS=AA SEQID=266 ATTCHORD=(4 265 Al 267 Br)
+M  V30 267 V 25.25 -16.25 0.0 0 CLASS=AA SEQID=267 ATTCHORD=(4 266 Al 268 Br)
+M  V30 268 D 26.75 -16.25 0.0 0 CLASS=AA SEQID=268 ATTCHORD=(4 267 Al 269 Br)
+M  V30 269 V 28.25 -16.25 0.0 0 CLASS=AA SEQID=269 ATTCHORD=(4 268 Al 270 Br)
+M  V30 270 S 29.75 -16.25 0.0 0 CLASS=AA SEQID=270 ATTCHORD=(4 269 Al 271 Br)
+M  V30 271 H 31.25 -16.25 0.0 0 CLASS=AA SEQID=271 ATTCHORD=(4 270 Al 272 Br)
+M  V30 272 E 32.75 -16.25 0.0 0 CLASS=AA SEQID=272 ATTCHORD=(4 271 Al 273 Br)
+M  V30 273 D 34.25 -16.25 0.0 0 CLASS=AA SEQID=273 ATTCHORD=(4 272 Al 274 Br)
+M  V30 274 P 35.75 -16.25 0.0 0 CLASS=AA SEQID=274 ATTCHORD=(4 273 Al 275 Br)
+M  V30 275 E 37.25 -16.25 0.0 0 CLASS=AA SEQID=275 ATTCHORD=(4 274 Al 276 Br)
+M  V30 276 V 1.25 -17.75 0.0 0 CLASS=AA SEQID=276 ATTCHORD=(4 275 Al 277 Br)
+M  V30 277 K 2.75 -17.75 0.0 0 CLASS=AA SEQID=277 ATTCHORD=(4 276 Al 278 Br)
+M  V30 278 F 4.25 -17.75 0.0 0 CLASS=AA SEQID=278 ATTCHORD=(4 277 Al 279 Br)
+M  V30 279 N 5.75 -17.75 0.0 0 CLASS=AA SEQID=279 ATTCHORD=(4 278 Al 280 Br)
+M  V30 280 W 7.25 -17.75 0.0 0 CLASS=AA SEQID=280 ATTCHORD=(4 279 Al 281 Br)
+M  V30 281 Y 8.75 -17.75 0.0 0 CLASS=AA SEQID=281 ATTCHORD=(4 280 Al 282 Br)
+M  V30 282 V 10.25 -17.75 0.0 0 CLASS=AA SEQID=282 ATTCHORD=(4 281 Al 283 Br)
+M  V30 283 D 11.75 -17.75 0.0 0 CLASS=AA SEQID=283 ATTCHORD=(4 282 Al 284 Br)
+M  V30 284 G 13.25 -17.75 0.0 0 CLASS=AA SEQID=284 ATTCHORD=(4 283 Al 285 Br)
+M  V30 285 V 14.75 -17.75 0.0 0 CLASS=AA SEQID=285 ATTCHORD=(4 284 Al 286 Br)
+M  V30 286 E 16.25 -17.75 0.0 0 CLASS=AA SEQID=286 ATTCHORD=(4 285 Al 287 Br)
+M  V30 287 V 17.75 -17.75 0.0 0 CLASS=AA SEQID=287 ATTCHORD=(4 286 Al 288 Br)
+M  V30 288 H 19.25 -17.75 0.0 0 CLASS=AA SEQID=288 ATTCHORD=(4 287 Al 289 Br)
+M  V30 289 N 20.75 -17.75 0.0 0 CLASS=AA SEQID=289 ATTCHORD=(4 288 Al 290 Br)
+M  V30 290 A 22.25 -17.75 0.0 0 CLASS=AA SEQID=290 ATTCHORD=(4 289 Al 291 Br)
+M  V30 291 K 23.75 -17.75 0.0 0 CLASS=AA SEQID=291 ATTCHORD=(4 290 Al 292 Br)
+M  V30 292 T 25.25 -17.75 0.0 0 CLASS=AA SEQID=292 ATTCHORD=(4 291 Al 293 Br)
+M  V30 293 K 26.75 -17.75 0.0 0 CLASS=AA SEQID=293 ATTCHORD=(4 292 Al 294 Br)
+M  V30 294 P 28.25 -17.75 0.0 0 CLASS=AA SEQID=294 ATTCHORD=(4 293 Al 295 Br)
+M  V30 295 R 29.75 -17.75 0.0 0 CLASS=AA SEQID=295 ATTCHORD=(4 294 Al 296 Br)
+M  V30 296 E 31.25 -17.75 0.0 0 CLASS=AA SEQID=296 ATTCHORD=(4 295 Al 297 Br)
+M  V30 297 E 32.75 -17.75 0.0 0 CLASS=AA SEQID=297 ATTCHORD=(4 296 Al 298 Br)
+M  V30 298 Q 34.25 -17.75 0.0 0 CLASS=AA SEQID=298 ATTCHORD=(4 297 Al 299 Br)
+M  V30 299 Y 35.75 -17.75 0.0 0 CLASS=AA SEQID=299 ATTCHORD=(4 298 Al 300 Br)
+M  V30 300 N 37.25 -17.75 0.0 0 CLASS=AA SEQID=300 ATTCHORD=(4 299 Al 301 Br)
+M  V30 301 S 1.25 -19.25 0.0 0 CLASS=AA SEQID=301 ATTCHORD=(4 300 Al 302 Br)
+M  V30 302 T 2.75 -19.25 0.0 0 CLASS=AA SEQID=302 ATTCHORD=(4 301 Al 303 Br)
+M  V30 303 Y 4.25 -19.25 0.0 0 CLASS=AA SEQID=303 ATTCHORD=(4 302 Al 304 Br)
+M  V30 304 R 5.75 -19.25 0.0 0 CLASS=AA SEQID=304 ATTCHORD=(4 303 Al 305 Br)
+M  V30 305 V 7.25 -19.25 0.0 0 CLASS=AA SEQID=305 ATTCHORD=(4 304 Al 306 Br)
+M  V30 306 V 8.75 -19.25 0.0 0 CLASS=AA SEQID=306 ATTCHORD=(4 305 Al 307 Br)
+M  V30 307 S 10.25 -19.25 0.0 0 CLASS=AA SEQID=307 ATTCHORD=(4 306 Al 308 Br)
+M  V30 308 V 11.75 -19.25 0.0 0 CLASS=AA SEQID=308 ATTCHORD=(4 307 Al 309 Br)
+M  V30 309 L 13.25 -19.25 0.0 0 CLASS=AA SEQID=309 ATTCHORD=(4 308 Al 310 Br)
+M  V30 310 T 14.75 -19.25 0.0 0 CLASS=AA SEQID=310 ATTCHORD=(4 309 Al 311 Br)
+M  V30 311 V 16.25 -19.25 0.0 0 CLASS=AA SEQID=311 ATTCHORD=(4 310 Al 312 Br)
+M  V30 312 L 17.75 -19.25 0.0 0 CLASS=AA SEQID=312 ATTCHORD=(4 311 Al 313 Br)
+M  V30 313 H 19.25 -19.25 0.0 0 CLASS=AA SEQID=313 ATTCHORD=(4 312 Al 314 Br)
+M  V30 314 Q 20.75 -19.25 0.0 0 CLASS=AA SEQID=314 ATTCHORD=(4 313 Al 315 Br)
+M  V30 315 D 22.25 -19.25 0.0 0 CLASS=AA SEQID=315 ATTCHORD=(4 314 Al 316 Br)
+M  V30 316 W 23.75 -19.25 0.0 0 CLASS=AA SEQID=316 ATTCHORD=(4 315 Al 317 Br)
+M  V30 317 L 25.25 -19.25 0.0 0 CLASS=AA SEQID=317 ATTCHORD=(4 316 Al 318 Br)
+M  V30 318 N 26.75 -19.25 0.0 0 CLASS=AA SEQID=318 ATTCHORD=(4 317 Al 319 Br)
+M  V30 319 G 28.25 -19.25 0.0 0 CLASS=AA SEQID=319 ATTCHORD=(4 318 Al 320 Br)
+M  V30 320 K 29.75 -19.25 0.0 0 CLASS=AA SEQID=320 ATTCHORD=(4 319 Al 321 Br)
+M  V30 321 E 31.25 -19.25 0.0 0 CLASS=AA SEQID=321 ATTCHORD=(4 320 Al 322 Br)
+M  V30 322 Y 32.75 -19.25 0.0 0 CLASS=AA SEQID=322 ATTCHORD=(4 321 Al 323 Br)
+M  V30 323 K 34.25 -19.25 0.0 0 CLASS=AA SEQID=323 ATTCHORD=(4 322 Al 324 Br)
+M  V30 324 C 35.75 -19.25 0.0 0 CLASS=AA SEQID=324 ATTCHORD=(6 323 Al 325 Br -
+M  V30 264 Cx)
+M  V30 325 K 37.25 -19.25 0.0 0 CLASS=AA SEQID=325 ATTCHORD=(4 324 Al 326 Br)
+M  V30 326 V 1.25 -20.75 0.0 0 CLASS=AA SEQID=326 ATTCHORD=(4 325 Al 327 Br)
+M  V30 327 S 2.75 -20.75 0.0 0 CLASS=AA SEQID=327 ATTCHORD=(4 326 Al 328 Br)
+M  V30 328 N 4.25 -20.75 0.0 0 CLASS=AA SEQID=328 ATTCHORD=(4 327 Al 329 Br)
+M  V30 329 K 5.75 -20.75 0.0 0 CLASS=AA SEQID=329 ATTCHORD=(4 328 Al 330 Br)
+M  V30 330 A 7.25 -20.75 0.0 0 CLASS=AA SEQID=330 ATTCHORD=(4 329 Al 331 Br)
+M  V30 331 L 8.75 -20.75 0.0 0 CLASS=AA SEQID=331 ATTCHORD=(4 330 Al 332 Br)
+M  V30 332 P 10.25 -20.75 0.0 0 CLASS=AA SEQID=332 ATTCHORD=(4 331 Al 333 Br)
+M  V30 333 A 11.75 -20.75 0.0 0 CLASS=AA SEQID=333 ATTCHORD=(4 332 Al 334 Br)
+M  V30 334 P 13.25 -20.75 0.0 0 CLASS=AA SEQID=334 ATTCHORD=(4 333 Al 335 Br)
+M  V30 335 I 14.75 -20.75 0.0 0 CLASS=AA SEQID=335 ATTCHORD=(4 334 Al 336 Br)
+M  V30 336 E 16.25 -20.75 0.0 0 CLASS=AA SEQID=336 ATTCHORD=(4 335 Al 337 Br)
+M  V30 337 K 17.75 -20.75 0.0 0 CLASS=AA SEQID=337 ATTCHORD=(4 336 Al 338 Br)
+M  V30 338 T 19.25 -20.75 0.0 0 CLASS=AA SEQID=338 ATTCHORD=(4 337 Al 339 Br)
+M  V30 339 I 20.75 -20.75 0.0 0 CLASS=AA SEQID=339 ATTCHORD=(4 338 Al 340 Br)
+M  V30 340 S 22.25 -20.75 0.0 0 CLASS=AA SEQID=340 ATTCHORD=(4 339 Al 341 Br)
+M  V30 341 K 23.75 -20.75 0.0 0 CLASS=AA SEQID=341 ATTCHORD=(4 340 Al 342 Br)
+M  V30 342 A 25.25 -20.75 0.0 0 CLASS=AA SEQID=342 ATTCHORD=(4 341 Al 343 Br)
+M  V30 343 K 26.75 -20.75 0.0 0 CLASS=AA SEQID=343 ATTCHORD=(4 342 Al 344 Br)
+M  V30 344 G 28.25 -20.75 0.0 0 CLASS=AA SEQID=344 ATTCHORD=(4 343 Al 345 Br)
+M  V30 345 Q 29.75 -20.75 0.0 0 CLASS=AA SEQID=345 ATTCHORD=(4 344 Al 346 Br)
+M  V30 346 P 31.25 -20.75 0.0 0 CLASS=AA SEQID=346 ATTCHORD=(4 345 Al 347 Br)
+M  V30 347 R 32.75 -20.75 0.0 0 CLASS=AA SEQID=347 ATTCHORD=(4 346 Al 348 Br)
+M  V30 348 E 34.25 -20.75 0.0 0 CLASS=AA SEQID=348 ATTCHORD=(4 347 Al 349 Br)
+M  V30 349 P 35.75 -20.75 0.0 0 CLASS=AA SEQID=349 ATTCHORD=(4 348 Al 350 Br)
+M  V30 350 Q 37.25 -20.75 0.0 0 CLASS=AA SEQID=350 ATTCHORD=(4 349 Al 351 Br)
+M  V30 351 V 1.25 -22.25 0.0 0 CLASS=AA SEQID=351 ATTCHORD=(4 350 Al 352 Br)
+M  V30 352 Y 2.75 -22.25 0.0 0 CLASS=AA SEQID=352 ATTCHORD=(4 351 Al 353 Br)
+M  V30 353 T 4.25 -22.25 0.0 0 CLASS=AA SEQID=353 ATTCHORD=(4 352 Al 354 Br)
+M  V30 354 L 5.75 -22.25 0.0 0 CLASS=AA SEQID=354 ATTCHORD=(4 353 Al 355 Br)
+M  V30 355 P 7.25 -22.25 0.0 0 CLASS=AA SEQID=355 ATTCHORD=(4 354 Al 356 Br)
+M  V30 356 P 8.75 -22.25 0.0 0 CLASS=AA SEQID=356 ATTCHORD=(4 355 Al 357 Br)
+M  V30 357 S 10.25 -22.25 0.0 0 CLASS=AA SEQID=357 ATTCHORD=(4 356 Al 358 Br)
+M  V30 358 R 11.75 -22.25 0.0 0 CLASS=AA SEQID=358 ATTCHORD=(4 357 Al 359 Br)
+M  V30 359 E 13.25 -22.25 0.0 0 CLASS=AA SEQID=359 ATTCHORD=(4 358 Al 360 Br)
+M  V30 360 E 14.75 -22.25 0.0 0 CLASS=AA SEQID=360 ATTCHORD=(4 359 Al 361 Br)
+M  V30 361 M 16.25 -22.25 0.0 0 CLASS=AA SEQID=361 ATTCHORD=(4 360 Al 362 Br)
+M  V30 362 T 17.75 -22.25 0.0 0 CLASS=AA SEQID=362 ATTCHORD=(4 361 Al 363 Br)
+M  V30 363 K 19.25 -22.25 0.0 0 CLASS=AA SEQID=363 ATTCHORD=(4 362 Al 364 Br)
+M  V30 364 N 20.75 -22.25 0.0 0 CLASS=AA SEQID=364 ATTCHORD=(4 363 Al 365 Br)
+M  V30 365 Q 22.25 -22.25 0.0 0 CLASS=AA SEQID=365 ATTCHORD=(4 364 Al 366 Br)
+M  V30 366 V 23.75 -22.25 0.0 0 CLASS=AA SEQID=366 ATTCHORD=(4 365 Al 367 Br)
+M  V30 367 S 25.25 -22.25 0.0 0 CLASS=AA SEQID=367 ATTCHORD=(4 366 Al 368 Br)
+M  V30 368 L 26.75 -22.25 0.0 0 CLASS=AA SEQID=368 ATTCHORD=(4 367 Al 369 Br)
+M  V30 369 T 28.25 -22.25 0.0 0 CLASS=AA SEQID=369 ATTCHORD=(4 368 Al 370 Br)
+M  V30 370 C 29.75 -22.25 0.0 0 CLASS=AA SEQID=370 ATTCHORD=(4 369 Al 371 Br)
+M  V30 371 L 31.25 -22.25 0.0 0 CLASS=AA SEQID=371 ATTCHORD=(4 370 Al 372 Br)
+M  V30 372 V 32.75 -22.25 0.0 0 CLASS=AA SEQID=372 ATTCHORD=(4 371 Al 373 Br)
+M  V30 373 K 34.25 -22.25 0.0 0 CLASS=AA SEQID=373 ATTCHORD=(4 372 Al 374 Br)
+M  V30 374 G 35.75 -22.25 0.0 0 CLASS=AA SEQID=374 ATTCHORD=(4 373 Al 375 Br)
+M  V30 375 F 37.25 -22.25 0.0 0 CLASS=AA SEQID=375 ATTCHORD=(4 374 Al 376 Br)
+M  V30 376 Y 1.25 -23.75 0.0 0 CLASS=AA SEQID=376 ATTCHORD=(4 375 Al 377 Br)
+M  V30 377 P 2.75 -23.75 0.0 0 CLASS=AA SEQID=377 ATTCHORD=(4 376 Al 378 Br)
+M  V30 378 S 4.25 -23.75 0.0 0 CLASS=AA SEQID=378 ATTCHORD=(4 377 Al 379 Br)
+M  V30 379 D 5.75 -23.75 0.0 0 CLASS=AA SEQID=379 ATTCHORD=(4 378 Al 380 Br)
+M  V30 380 I 7.25 -23.75 0.0 0 CLASS=AA SEQID=380 ATTCHORD=(4 379 Al 381 Br)
+M  V30 381 A 8.75 -23.75 0.0 0 CLASS=AA SEQID=381 ATTCHORD=(4 380 Al 382 Br)
+M  V30 382 V 10.25 -23.75 0.0 0 CLASS=AA SEQID=382 ATTCHORD=(4 381 Al 383 Br)
+M  V30 383 E 11.75 -23.75 0.0 0 CLASS=AA SEQID=383 ATTCHORD=(4 382 Al 384 Br)
+M  V30 384 W 13.25 -23.75 0.0 0 CLASS=AA SEQID=384 ATTCHORD=(4 383 Al 385 Br)
+M  V30 385 E 14.75 -23.75 0.0 0 CLASS=AA SEQID=385 ATTCHORD=(4 384 Al 386 Br)
+M  V30 386 S 16.25 -23.75 0.0 0 CLASS=AA SEQID=386 ATTCHORD=(4 385 Al 387 Br)
+M  V30 387 N 17.75 -23.75 0.0 0 CLASS=AA SEQID=387 ATTCHORD=(4 386 Al 388 Br)
+M  V30 388 G 19.25 -23.75 0.0 0 CLASS=AA SEQID=388 ATTCHORD=(4 387 Al 389 Br)
+M  V30 389 Q 20.75 -23.75 0.0 0 CLASS=AA SEQID=389 ATTCHORD=(4 388 Al 390 Br)
+M  V30 390 P 22.25 -23.75 0.0 0 CLASS=AA SEQID=390 ATTCHORD=(4 389 Al 391 Br)
+M  V30 391 E 23.75 -23.75 0.0 0 CLASS=AA SEQID=391 ATTCHORD=(4 390 Al 392 Br)
+M  V30 392 N 25.25 -23.75 0.0 0 CLASS=AA SEQID=392 ATTCHORD=(4 391 Al 393 Br)
+M  V30 393 N 26.75 -23.75 0.0 0 CLASS=AA SEQID=393 ATTCHORD=(4 392 Al 394 Br)
+M  V30 394 Y 28.25 -23.75 0.0 0 CLASS=AA SEQID=394 ATTCHORD=(4 393 Al 395 Br)
+M  V30 395 K 29.75 -23.75 0.0 0 CLASS=AA SEQID=395 ATTCHORD=(4 394 Al 396 Br)
+M  V30 396 T 31.25 -23.75 0.0 0 CLASS=AA SEQID=396 ATTCHORD=(4 395 Al 397 Br)
+M  V30 397 T 32.75 -23.75 0.0 0 CLASS=AA SEQID=397 ATTCHORD=(2 396 Al)
+M  V30 398 D 1.25 -25.25 0.0 0 CLASS=AA SEQID=1 ATTCHORD=(2 399 Br)
+M  V30 399 I 2.75 -25.25 0.0 0 CLASS=AA SEQID=2 ATTCHORD=(4 398 Al 400 Br)
+M  V30 400 Q 4.25 -25.25 0.0 0 CLASS=AA SEQID=3 ATTCHORD=(4 399 Al 401 Br)
+M  V30 401 M 5.75 -25.25 0.0 0 CLASS=AA SEQID=4 ATTCHORD=(4 400 Al 402 Br)
+M  V30 402 T 7.25 -25.25 0.0 0 CLASS=AA SEQID=5 ATTCHORD=(4 401 Al 403 Br)
+M  V30 403 Q 8.75 -25.25 0.0 0 CLASS=AA SEQID=6 ATTCHORD=(4 402 Al 404 Br)
+M  V30 404 S 10.25 -25.25 0.0 0 CLASS=AA SEQID=7 ATTCHORD=(4 403 Al 405 Br)
+M  V30 405 P 11.75 -25.25 0.0 0 CLASS=AA SEQID=8 ATTCHORD=(4 404 Al 406 Br)
+M  V30 406 S 13.25 -25.25 0.0 0 CLASS=AA SEQID=9 ATTCHORD=(4 405 Al 407 Br)
+M  V30 407 S 14.75 -25.25 0.0 0 CLASS=AA SEQID=10 ATTCHORD=(4 406 Al 408 Br)
+M  V30 408 L 16.25 -25.25 0.0 0 CLASS=AA SEQID=11 ATTCHORD=(4 407 Al 409 Br)
+M  V30 409 S 17.75 -25.25 0.0 0 CLASS=AA SEQID=12 ATTCHORD=(4 408 Al 410 Br)
+M  V30 410 A 19.25 -25.25 0.0 0 CLASS=AA SEQID=13 ATTCHORD=(4 409 Al 411 Br)
+M  V30 411 S 20.75 -25.25 0.0 0 CLASS=AA SEQID=14 ATTCHORD=(4 410 Al 412 Br)
+M  V30 412 V 22.25 -25.25 0.0 0 CLASS=AA SEQID=15 ATTCHORD=(4 411 Al 413 Br)
+M  V30 413 G 23.75 -25.25 0.0 0 CLASS=AA SEQID=16 ATTCHORD=(4 412 Al 414 Br)
+M  V30 414 D 25.25 -25.25 0.0 0 CLASS=AA SEQID=17 ATTCHORD=(4 413 Al 415 Br)
+M  V30 415 R 26.75 -25.25 0.0 0 CLASS=AA SEQID=18 ATTCHORD=(4 414 Al 416 Br)
+M  V30 416 V 28.25 -25.25 0.0 0 CLASS=AA SEQID=19 ATTCHORD=(4 415 Al 417 Br)
+M  V30 417 T 29.75 -25.25 0.0 0 CLASS=AA SEQID=20 ATTCHORD=(4 416 Al 418 Br)
+M  V30 418 I 31.25 -25.25 0.0 0 CLASS=AA SEQID=21 ATTCHORD=(4 417 Al 419 Br)
+M  V30 419 T 32.75 -25.25 0.0 0 CLASS=AA SEQID=22 ATTCHORD=(4 418 Al 420 Br)
+M  V30 420 C 34.25 -25.25 0.0 0 CLASS=AA SEQID=23 ATTCHORD=(6 419 Al 421 Br 4-
+M  V30 85 Cx)
+M  V30 421 R 35.75 -25.25 0.0 0 CLASS=AA SEQID=24 ATTCHORD=(4 420 Al 422 Br)
+M  V30 422 A 37.25 -25.25 0.0 0 CLASS=AA SEQID=25 ATTCHORD=(4 421 Al 423 Br)
+M  V30 423 S 1.25 -26.75 0.0 0 CLASS=AA SEQID=26 ATTCHORD=(4 422 Al 424 Br)
+M  V30 424 Q 2.75 -26.75 0.0 0 CLASS=AA SEQID=27 ATTCHORD=(4 423 Al 425 Br)
+M  V30 425 D 4.25 -26.75 0.0 0 CLASS=AA SEQID=28 ATTCHORD=(4 424 Al 426 Br)
+M  V30 426 V 5.75 -26.75 0.0 0 CLASS=AA SEQID=29 ATTCHORD=(4 425 Al 427 Br)
+M  V30 427 N 7.25 -26.75 0.0 0 CLASS=AA SEQID=30 ATTCHORD=(4 426 Al 428 Br)
+M  V30 428 T 8.75 -26.75 0.0 0 CLASS=AA SEQID=31 ATTCHORD=(4 427 Al 429 Br)
+M  V30 429 A 10.25 -26.75 0.0 0 CLASS=AA SEQID=32 ATTCHORD=(4 428 Al 430 Br)
+M  V30 430 V 11.75 -26.75 0.0 0 CLASS=AA SEQID=33 ATTCHORD=(4 429 Al 431 Br)
+M  V30 431 A 13.25 -26.75 0.0 0 CLASS=AA SEQID=34 ATTCHORD=(4 430 Al 432 Br)
+M  V30 432 W 14.75 -26.75 0.0 0 CLASS=AA SEQID=35 ATTCHORD=(4 431 Al 433 Br)
+M  V30 433 Y 16.25 -26.75 0.0 0 CLASS=AA SEQID=36 ATTCHORD=(4 432 Al 434 Br)
+M  V30 434 Q 17.75 -26.75 0.0 0 CLASS=AA SEQID=37 ATTCHORD=(4 433 Al 435 Br)
+M  V30 435 Q 19.25 -26.75 0.0 0 CLASS=AA SEQID=38 ATTCHORD=(4 434 Al 436 Br)
+M  V30 436 K 20.75 -26.75 0.0 0 CLASS=AA SEQID=39 ATTCHORD=(4 435 Al 437 Br)
+M  V30 437 P 22.25 -26.75 0.0 0 CLASS=AA SEQID=40 ATTCHORD=(4 436 Al 438 Br)
+M  V30 438 G 23.75 -26.75 0.0 0 CLASS=AA SEQID=41 ATTCHORD=(4 437 Al 439 Br)
+M  V30 439 K 25.25 -26.75 0.0 0 CLASS=AA SEQID=42 ATTCHORD=(4 438 Al 440 Br)
+M  V30 440 A 26.75 -26.75 0.0 0 CLASS=AA SEQID=43 ATTCHORD=(4 439 Al 441 Br)
+M  V30 441 P 28.25 -26.75 0.0 0 CLASS=AA SEQID=44 ATTCHORD=(4 440 Al 442 Br)
+M  V30 442 K 29.75 -26.75 0.0 0 CLASS=AA SEQID=45 ATTCHORD=(4 441 Al 443 Br)
+M  V30 443 L 31.25 -26.75 0.0 0 CLASS=AA SEQID=46 ATTCHORD=(4 442 Al 444 Br)
+M  V30 444 L 32.75 -26.75 0.0 0 CLASS=AA SEQID=47 ATTCHORD=(4 443 Al 445 Br)
+M  V30 445 I 34.25 -26.75 0.0 0 CLASS=AA SEQID=48 ATTCHORD=(4 444 Al 446 Br)
+M  V30 446 Y 35.75 -26.75 0.0 0 CLASS=AA SEQID=49 ATTCHORD=(4 445 Al 447 Br)
+M  V30 447 S 37.25 -26.75 0.0 0 CLASS=AA SEQID=50 ATTCHORD=(4 446 Al 448 Br)
+M  V30 448 A 1.25 -28.25 0.0 0 CLASS=AA SEQID=51 ATTCHORD=(4 447 Al 449 Br)
+M  V30 449 S 2.75 -28.25 0.0 0 CLASS=AA SEQID=52 ATTCHORD=(4 448 Al 450 Br)
+M  V30 450 F 4.25 -28.25 0.0 0 CLASS=AA SEQID=53 ATTCHORD=(4 449 Al 451 Br)
+M  V30 451 L 5.75 -28.25 0.0 0 CLASS=AA SEQID=54 ATTCHORD=(4 450 Al 452 Br)
+M  V30 452 Y 7.25 -28.25 0.0 0 CLASS=AA SEQID=55 ATTCHORD=(4 451 Al 453 Br)
+M  V30 453 S 8.75 -28.25 0.0 0 CLASS=AA SEQID=56 ATTCHORD=(4 452 Al 454 Br)
+M  V30 454 G 10.25 -28.25 0.0 0 CLASS=AA SEQID=57 ATTCHORD=(4 453 Al 455 Br)
+M  V30 455 V 11.75 -28.25 0.0 0 CLASS=AA SEQID=58 ATTCHORD=(4 454 Al 456 Br)
+M  V30 456 P 13.25 -28.25 0.0 0 CLASS=AA SEQID=59 ATTCHORD=(4 455 Al 457 Br)
+M  V30 457 S 14.75 -28.25 0.0 0 CLASS=AA SEQID=60 ATTCHORD=(4 456 Al 458 Br)
+M  V30 458 R 16.25 -28.25 0.0 0 CLASS=AA SEQID=61 ATTCHORD=(4 457 Al 459 Br)
+M  V30 459 F 17.75 -28.25 0.0 0 CLASS=AA SEQID=62 ATTCHORD=(4 458 Al 460 Br)
+M  V30 460 S 19.25 -28.25 0.0 0 CLASS=AA SEQID=63 ATTCHORD=(4 459 Al 461 Br)
+M  V30 461 G 20.75 -28.25 0.0 0 CLASS=AA SEQID=64 ATTCHORD=(4 460 Al 462 Br)
+M  V30 462 S 22.25 -28.25 0.0 0 CLASS=AA SEQID=65 ATTCHORD=(4 461 Al 463 Br)
+M  V30 463 R 23.75 -28.25 0.0 0 CLASS=AA SEQID=66 ATTCHORD=(4 462 Al 464 Br)
+M  V30 464 S 25.25 -28.25 0.0 0 CLASS=AA SEQID=67 ATTCHORD=(4 463 Al 465 Br)
+M  V30 465 G 26.75 -28.25 0.0 0 CLASS=AA SEQID=68 ATTCHORD=(4 464 Al 466 Br)
+M  V30 466 T 28.25 -28.25 0.0 0 CLASS=AA SEQID=69 ATTCHORD=(4 465 Al 467 Br)
+M  V30 467 D 29.75 -28.25 0.0 0 CLASS=AA SEQID=70 ATTCHORD=(4 466 Al 468 Br)
+M  V30 468 F 31.25 -28.25 0.0 0 CLASS=AA SEQID=71 ATTCHORD=(4 467 Al 469 Br)
+M  V30 469 T 32.75 -28.25 0.0 0 CLASS=AA SEQID=72 ATTCHORD=(4 468 Al 470 Br)
+M  V30 470 L 34.25 -28.25 0.0 0 CLASS=AA SEQID=73 ATTCHORD=(4 469 Al 471 Br)
+M  V30 471 T 35.75 -28.25 0.0 0 CLASS=AA SEQID=74 ATTCHORD=(4 470 Al 472 Br)
+M  V30 472 I 37.25 -28.25 0.0 0 CLASS=AA SEQID=75 ATTCHORD=(4 471 Al 473 Br)
+M  V30 473 S 1.25 -29.75 0.0 0 CLASS=AA SEQID=76 ATTCHORD=(4 472 Al 474 Br)
+M  V30 474 S 2.75 -29.75 0.0 0 CLASS=AA SEQID=77 ATTCHORD=(4 473 Al 475 Br)
+M  V30 475 L 4.25 -29.75 0.0 0 CLASS=AA SEQID=78 ATTCHORD=(4 474 Al 476 Br)
+M  V30 476 Q 5.75 -29.75 0.0 0 CLASS=AA SEQID=79 ATTCHORD=(4 475 Al 477 Br)
+M  V30 477 P 7.25 -29.75 0.0 0 CLASS=AA SEQID=80 ATTCHORD=(4 476 Al 478 Br)
+M  V30 478 E 8.75 -29.75 0.0 0 CLASS=AA SEQID=81 ATTCHORD=(4 477 Al 479 Br)
+M  V30 479 D 10.25 -29.75 0.0 0 CLASS=AA SEQID=82 ATTCHORD=(4 478 Al 480 Br)
+M  V30 480 F 11.75 -29.75 0.0 0 CLASS=AA SEQID=83 ATTCHORD=(4 479 Al 481 Br)
+M  V30 481 A 13.25 -29.75 0.0 0 CLASS=AA SEQID=84 ATTCHORD=(4 480 Al 482 Br)
+M  V30 482 T 14.75 -29.75 0.0 0 CLASS=AA SEQID=85 ATTCHORD=(4 481 Al 483 Br)
+M  V30 483 Y 16.25 -29.75 0.0 0 CLASS=AA SEQID=86 ATTCHORD=(4 482 Al 484 Br)
+M  V30 484 Y 17.75 -29.75 0.0 0 CLASS=AA SEQID=87 ATTCHORD=(4 483 Al 485 Br)
+M  V30 485 C 19.25 -29.75 0.0 0 CLASS=AA SEQID=88 ATTCHORD=(6 484 Al 486 Br 4-
+M  V30 20 Cx)
+M  V30 486 Q 20.75 -29.75 0.0 0 CLASS=AA SEQID=89 ATTCHORD=(4 485 Al 487 Br)
+M  V30 487 Q 22.25 -29.75 0.0 0 CLASS=AA SEQID=90 ATTCHORD=(4 486 Al 488 Br)
+M  V30 488 H 23.75 -29.75 0.0 0 CLASS=AA SEQID=91 ATTCHORD=(4 487 Al 489 Br)
+M  V30 489 Y 25.25 -29.75 0.0 0 CLASS=AA SEQID=92 ATTCHORD=(4 488 Al 490 Br)
+M  V30 490 T 26.75 -29.75 0.0 0 CLASS=AA SEQID=93 ATTCHORD=(4 489 Al 491 Br)
+M  V30 491 T 28.25 -29.75 0.0 0 CLASS=AA SEQID=94 ATTCHORD=(4 490 Al 492 Br)
+M  V30 492 P 29.75 -29.75 0.0 0 CLASS=AA SEQID=95 ATTCHORD=(4 491 Al 493 Br)
+M  V30 493 P 31.25 -29.75 0.0 0 CLASS=AA SEQID=96 ATTCHORD=(4 492 Al 494 Br)
+M  V30 494 T 32.75 -29.75 0.0 0 CLASS=AA SEQID=97 ATTCHORD=(4 493 Al 495 Br)
+M  V30 495 F 34.25 -29.75 0.0 0 CLASS=AA SEQID=98 ATTCHORD=(4 494 Al 496 Br)
+M  V30 496 G 35.75 -29.75 0.0 0 CLASS=AA SEQID=99 ATTCHORD=(4 495 Al 497 Br)
+M  V30 497 Q 37.25 -29.75 0.0 0 CLASS=AA SEQID=100 ATTCHORD=(4 496 Al 498 Br)
+M  V30 498 G 1.25 -31.25 0.0 0 CLASS=AA SEQID=101 ATTCHORD=(4 497 Al 499 Br)
+M  V30 499 T 2.75 -31.25 0.0 0 CLASS=AA SEQID=102 ATTCHORD=(4 498 Al 500 Br)
+M  V30 500 K 4.25 -31.25 0.0 0 CLASS=AA SEQID=103 ATTCHORD=(4 499 Al 501 Br)
+M  V30 501 V 5.75 -31.25 0.0 0 CLASS=AA SEQID=104 ATTCHORD=(4 500 Al 502 Br)
+M  V30 502 E 7.25 -31.25 0.0 0 CLASS=AA SEQID=105 ATTCHORD=(4 501 Al 503 Br)
+M  V30 503 I 8.75 -31.25 0.0 0 CLASS=AA SEQID=106 ATTCHORD=(4 502 Al 504 Br)
+M  V30 504 K 10.25 -31.25 0.0 0 CLASS=AA SEQID=107 ATTCHORD=(4 503 Al 505 Br)
+M  V30 505 R 11.75 -31.25 0.0 0 CLASS=AA SEQID=108 ATTCHORD=(4 504 Al 506 Br)
+M  V30 506 T 13.25 -31.25 0.0 0 CLASS=AA SEQID=109 ATTCHORD=(4 505 Al 507 Br)
+M  V30 507 V 14.75 -31.25 0.0 0 CLASS=AA SEQID=110 ATTCHORD=(4 506 Al 508 Br)
+M  V30 508 A 16.25 -31.25 0.0 0 CLASS=AA SEQID=111 ATTCHORD=(4 507 Al 509 Br)
+M  V30 509 A 17.75 -31.25 0.0 0 CLASS=AA SEQID=112 ATTCHORD=(4 508 Al 510 Br)
+M  V30 510 P 19.25 -31.25 0.0 0 CLASS=AA SEQID=113 ATTCHORD=(4 509 Al 511 Br)
+M  V30 511 S 20.75 -31.25 0.0 0 CLASS=AA SEQID=114 ATTCHORD=(4 510 Al 512 Br)
+M  V30 512 V 22.25 -31.25 0.0 0 CLASS=AA SEQID=115 ATTCHORD=(4 511 Al 513 Br)
+M  V30 513 F 23.75 -31.25 0.0 0 CLASS=AA SEQID=116 ATTCHORD=(4 512 Al 514 Br)
+M  V30 514 I 25.25 -31.25 0.0 0 CLASS=AA SEQID=117 ATTCHORD=(4 513 Al 515 Br)
+M  V30 515 F 26.75 -31.25 0.0 0 CLASS=AA SEQID=118 ATTCHORD=(4 514 Al 516 Br)
+M  V30 516 P 28.25 -31.25 0.0 0 CLASS=AA SEQID=119 ATTCHORD=(4 515 Al 517 Br)
+M  V30 517 P 29.75 -31.25 0.0 0 CLASS=AA SEQID=120 ATTCHORD=(4 516 Al 518 Br)
+M  V30 518 S 31.25 -31.25 0.0 0 CLASS=AA SEQID=121 ATTCHORD=(4 517 Al 519 Br)
+M  V30 519 D 32.75 -31.25 0.0 0 CLASS=AA SEQID=122 ATTCHORD=(4 518 Al 520 Br)
+M  V30 520 E 34.25 -31.25 0.0 0 CLASS=AA SEQID=123 ATTCHORD=(4 519 Al 521 Br)
+M  V30 521 Q 35.75 -31.25 0.0 0 CLASS=AA SEQID=124 ATTCHORD=(4 520 Al 522 Br)
+M  V30 522 L 37.25 -31.25 0.0 0 CLASS=AA SEQID=125 ATTCHORD=(4 521 Al 523 Br)
+M  V30 523 K 1.25 -32.75 0.0 0 CLASS=AA SEQID=126 ATTCHORD=(4 522 Al 524 Br)
+M  V30 524 S 2.75 -32.75 0.0 0 CLASS=AA SEQID=127 ATTCHORD=(4 523 Al 525 Br)
+M  V30 525 G 4.25 -32.75 0.0 0 CLASS=AA SEQID=128 ATTCHORD=(4 524 Al 526 Br)
+M  V30 526 T 5.75 -32.75 0.0 0 CLASS=AA SEQID=129 ATTCHORD=(4 525 Al 527 Br)
+M  V30 527 A 7.25 -32.75 0.0 0 CLASS=AA SEQID=130 ATTCHORD=(4 526 Al 528 Br)
+M  V30 528 S 8.75 -32.75 0.0 0 CLASS=AA SEQID=131 ATTCHORD=(4 527 Al 529 Br)
+M  V30 529 V 10.25 -32.75 0.0 0 CLASS=AA SEQID=132 ATTCHORD=(4 528 Al 530 Br)
+M  V30 530 V 11.75 -32.75 0.0 0 CLASS=AA SEQID=133 ATTCHORD=(4 529 Al 531 Br)
+M  V30 531 C 13.25 -32.75 0.0 0 CLASS=AA SEQID=134 ATTCHORD=(6 530 Al 532 Br -
+M  V30 591 Cx)
+M  V30 532 L 14.75 -32.75 0.0 0 CLASS=AA SEQID=135 ATTCHORD=(4 531 Al 533 Br)
+M  V30 533 L 16.25 -32.75 0.0 0 CLASS=AA SEQID=136 ATTCHORD=(4 532 Al 534 Br)
+M  V30 534 N 17.75 -32.75 0.0 0 CLASS=AA SEQID=137 ATTCHORD=(4 533 Al 535 Br)
+M  V30 535 N 19.25 -32.75 0.0 0 CLASS=AA SEQID=138 ATTCHORD=(4 534 Al 536 Br)
+M  V30 536 F 20.75 -32.75 0.0 0 CLASS=AA SEQID=139 ATTCHORD=(4 535 Al 537 Br)
+M  V30 537 Y 22.25 -32.75 0.0 0 CLASS=AA SEQID=140 ATTCHORD=(4 536 Al 538 Br)
+M  V30 538 P 23.75 -32.75 0.0 0 CLASS=AA SEQID=141 ATTCHORD=(4 537 Al 539 Br)
+M  V30 539 R 25.25 -32.75 0.0 0 CLASS=AA SEQID=142 ATTCHORD=(4 538 Al 540 Br)
+M  V30 540 E 26.75 -32.75 0.0 0 CLASS=AA SEQID=143 ATTCHORD=(4 539 Al 541 Br)
+M  V30 541 A 28.25 -32.75 0.0 0 CLASS=AA SEQID=144 ATTCHORD=(4 540 Al 542 Br)
+M  V30 542 K 29.75 -32.75 0.0 0 CLASS=AA SEQID=145 ATTCHORD=(4 541 Al 543 Br)
+M  V30 543 V 31.25 -32.75 0.0 0 CLASS=AA SEQID=146 ATTCHORD=(4 542 Al 544 Br)
+M  V30 544 Q 32.75 -32.75 0.0 0 CLASS=AA SEQID=147 ATTCHORD=(4 543 Al 545 Br)
+M  V30 545 W 34.25 -32.75 0.0 0 CLASS=AA SEQID=148 ATTCHORD=(4 544 Al 546 Br)
+M  V30 546 K 35.75 -32.75 0.0 0 CLASS=AA SEQID=149 ATTCHORD=(4 545 Al 547 Br)
+M  V30 547 V 37.25 -32.75 0.0 0 CLASS=AA SEQID=150 ATTCHORD=(4 546 Al 548 Br)
+M  V30 548 D 1.25 -34.25 0.0 0 CLASS=AA SEQID=151 ATTCHORD=(4 547 Al 549 Br)
+M  V30 549 N 2.75 -34.25 0.0 0 CLASS=AA SEQID=152 ATTCHORD=(4 548 Al 550 Br)
+M  V30 550 A 4.25 -34.25 0.0 0 CLASS=AA SEQID=153 ATTCHORD=(4 549 Al 551 Br)
+M  V30 551 L 5.75 -34.25 0.0 0 CLASS=AA SEQID=154 ATTCHORD=(4 550 Al 552 Br)
+M  V30 552 Q 7.25 -34.25 0.0 0 CLASS=AA SEQID=155 ATTCHORD=(4 551 Al 553 Br)
+M  V30 553 S 8.75 -34.25 0.0 0 CLASS=AA SEQID=156 ATTCHORD=(4 552 Al 554 Br)
+M  V30 554 G 10.25 -34.25 0.0 0 CLASS=AA SEQID=157 ATTCHORD=(4 553 Al 555 Br)
+M  V30 555 N 11.75 -34.25 0.0 0 CLASS=AA SEQID=158 ATTCHORD=(4 554 Al 556 Br)
+M  V30 556 S 13.25 -34.25 0.0 0 CLASS=AA SEQID=159 ATTCHORD=(4 555 Al 557 Br)
+M  V30 557 Q 14.75 -34.25 0.0 0 CLASS=AA SEQID=160 ATTCHORD=(4 556 Al 558 Br)
+M  V30 558 E 16.25 -34.25 0.0 0 CLASS=AA SEQID=161 ATTCHORD=(4 557 Al 559 Br)
+M  V30 559 S 17.75 -34.25 0.0 0 CLASS=AA SEQID=162 ATTCHORD=(4 558 Al 560 Br)
+M  V30 560 V 19.25 -34.25 0.0 0 CLASS=AA SEQID=163 ATTCHORD=(4 559 Al 561 Br)
+M  V30 561 T 20.75 -34.25 0.0 0 CLASS=AA SEQID=164 ATTCHORD=(4 560 Al 562 Br)
+M  V30 562 E 22.25 -34.25 0.0 0 CLASS=AA SEQID=165 ATTCHORD=(4 561 Al 563 Br)
+M  V30 563 Q 23.75 -34.25 0.0 0 CLASS=AA SEQID=166 ATTCHORD=(4 562 Al 564 Br)
+M  V30 564 D 25.25 -34.25 0.0 0 CLASS=AA SEQID=167 ATTCHORD=(4 563 Al 565 Br)
+M  V30 565 S 26.75 -34.25 0.0 0 CLASS=AA SEQID=168 ATTCHORD=(4 564 Al 566 Br)
+M  V30 566 K 28.25 -34.25 0.0 0 CLASS=AA SEQID=169 ATTCHORD=(4 565 Al 567 Br)
+M  V30 567 D 29.75 -34.25 0.0 0 CLASS=AA SEQID=170 ATTCHORD=(4 566 Al 568 Br)
+M  V30 568 S 31.25 -34.25 0.0 0 CLASS=AA SEQID=171 ATTCHORD=(4 567 Al 569 Br)
+M  V30 569 T 32.75 -34.25 0.0 0 CLASS=AA SEQID=172 ATTCHORD=(4 568 Al 570 Br)
+M  V30 570 Y 34.25 -34.25 0.0 0 CLASS=AA SEQID=173 ATTCHORD=(4 569 Al 571 Br)
+M  V30 571 S 35.75 -34.25 0.0 0 CLASS=AA SEQID=174 ATTCHORD=(4 570 Al 572 Br)
+M  V30 572 L 37.25 -34.25 0.0 0 CLASS=AA SEQID=175 ATTCHORD=(4 571 Al 573 Br)
+M  V30 573 S 1.25 -35.75 0.0 0 CLASS=AA SEQID=176 ATTCHORD=(4 572 Al 574 Br)
+M  V30 574 S 2.75 -35.75 0.0 0 CLASS=AA SEQID=177 ATTCHORD=(4 573 Al 575 Br)
+M  V30 575 T 4.25 -35.75 0.0 0 CLASS=AA SEQID=178 ATTCHORD=(4 574 Al 576 Br)
+M  V30 576 L 5.75 -35.75 0.0 0 CLASS=AA SEQID=179 ATTCHORD=(4 575 Al 577 Br)
+M  V30 577 T 7.25 -35.75 0.0 0 CLASS=AA SEQID=180 ATTCHORD=(4 576 Al 578 Br)
+M  V30 578 L 8.75 -35.75 0.0 0 CLASS=AA SEQID=181 ATTCHORD=(4 577 Al 579 Br)
+M  V30 579 S 10.25 -35.75 0.0 0 CLASS=AA SEQID=182 ATTCHORD=(4 578 Al 580 Br)
+M  V30 580 K 11.75 -35.75 0.0 0 CLASS=AA SEQID=183 ATTCHORD=(4 579 Al 581 Br)
+M  V30 581 A 13.25 -35.75 0.0 0 CLASS=AA SEQID=184 ATTCHORD=(4 580 Al 582 Br)
+M  V30 582 D 14.75 -35.75 0.0 0 CLASS=AA SEQID=185 ATTCHORD=(4 581 Al 583 Br)
+M  V30 583 Y 16.25 -35.75 0.0 0 CLASS=AA SEQID=186 ATTCHORD=(4 582 Al 584 Br)
+M  V30 584 E 17.75 -35.75 0.0 0 CLASS=AA SEQID=187 ATTCHORD=(4 583 Al 585 Br)
+M  V30 585 K 19.25 -35.75 0.0 0 CLASS=AA SEQID=188 ATTCHORD=(4 584 Al 586 Br)
+M  V30 586 H 20.75 -35.75 0.0 0 CLASS=AA SEQID=189 ATTCHORD=(4 585 Al 587 Br)
+M  V30 587 K 22.25 -35.75 0.0 0 CLASS=AA SEQID=190 ATTCHORD=(4 586 Al 588 Br)
+M  V30 588 V 23.75 -35.75 0.0 0 CLASS=AA SEQID=191 ATTCHORD=(4 587 Al 589 Br)
+M  V30 589 Y 25.25 -35.75 0.0 0 CLASS=AA SEQID=192 ATTCHORD=(4 588 Al 590 Br)
+M  V30 590 A 26.75 -35.75 0.0 0 CLASS=AA SEQID=193 ATTCHORD=(4 589 Al 591 Br)
+M  V30 591 C 28.25 -35.75 0.0 0 CLASS=AA SEQID=194 ATTCHORD=(6 590 Al 592 Br -
+M  V30 531 Cx)
+M  V30 592 E 29.75 -35.75 0.0 0 CLASS=AA SEQID=195 ATTCHORD=(4 591 Al 593 Br)
+M  V30 593 V 31.25 -35.75 0.0 0 CLASS=AA SEQID=196 ATTCHORD=(4 592 Al 594 Br)
+M  V30 594 T 32.75 -35.75 0.0 0 CLASS=AA SEQID=197 ATTCHORD=(4 593 Al 595 Br)
+M  V30 595 H 34.25 -35.75 0.0 0 CLASS=AA SEQID=198 ATTCHORD=(4 594 Al 596 Br)
+M  V30 596 Q 35.75 -35.75 0.0 0 CLASS=AA SEQID=199 ATTCHORD=(4 595 Al 597 Br)
+M  V30 597 G 37.25 -35.75 0.0 0 CLASS=AA SEQID=200 ATTCHORD=(4 596 Al 598 Br)
+M  V30 598 L 1.25 -37.25 0.0 0 CLASS=AA SEQID=201 ATTCHORD=(4 597 Al 599 Br)
+M  V30 599 S 2.75 -37.25 0.0 0 CLASS=AA SEQID=202 ATTCHORD=(4 598 Al 600 Br)
+M  V30 600 S 4.25 -37.25 0.0 0 CLASS=AA SEQID=203 ATTCHORD=(4 599 Al 601 Br)
+M  V30 601 P 5.75 -37.25 0.0 0 CLASS=AA SEQID=204 ATTCHORD=(4 600 Al 602 Br)
+M  V30 602 V 7.25 -37.25 0.0 0 CLASS=AA SEQID=205 ATTCHORD=(4 601 Al 603 Br)
+M  V30 603 T 8.75 -37.25 0.0 0 CLASS=AA SEQID=206 ATTCHORD=(4 602 Al 604 Br)
+M  V30 604 K 10.25 -37.25 0.0 0 CLASS=AA SEQID=207 ATTCHORD=(4 603 Al 605 Br)
+M  V30 605 S 11.75 -37.25 0.0 0 CLASS=AA SEQID=208 ATTCHORD=(4 604 Al 606 Br)
+M  V30 606 F 13.25 -37.25 0.0 0 CLASS=AA SEQID=209 ATTCHORD=(4 605 Al 607 Br)
+M  V30 607 N 14.75 -37.25 0.0 0 CLASS=AA SEQID=210 ATTCHORD=(4 606 Al 608 Br)
+M  V30 608 R 16.25 -37.25 0.0 0 CLASS=AA SEQID=211 ATTCHORD=(4 607 Al 609 Br)
+M  V30 609 G 17.75 -37.25 0.0 0 CLASS=AA SEQID=212 ATTCHORD=(4 608 Al 610 Br)
+M  V30 610 E 19.25 -37.25 0.0 0 CLASS=AA SEQID=213 ATTCHORD=(4 609 Al 611 Br)
+M  V30 611 C 20.75 -37.25 0.0 0 CLASS=AA SEQID=214 ATTCHORD=(4 610 Al 223 Cx)
+M  V30 612 W 31.25 -38.75 0.0 0 CLASS=AA SEQID=21 ATTCHORD=(4 613 Br 910 Al)
+M  V30 613 N 32.75 -38.75 0.0 0 CLASS=AA SEQID=22 ATTCHORD=(4 612 Al 614 Br)
+M  V30 614 S 34.25 -38.75 0.0 0 CLASS=AA SEQID=23 ATTCHORD=(4 613 Al 615 Br)
+M  V30 615 G 35.75 -38.75 0.0 0 CLASS=AA SEQID=24 ATTCHORD=(4 614 Al 616 Br)
+M  V30 616 A 37.25 -38.75 0.0 0 CLASS=AA SEQID=25 ATTCHORD=(4 615 Al 617 Br)
+M  V30 617 L 1.25 -40.25 0.0 0 CLASS=AA SEQID=26 ATTCHORD=(4 616 Al 618 Br)
+M  V30 618 T 2.75 -40.25 0.0 0 CLASS=AA SEQID=27 ATTCHORD=(4 617 Al 619 Br)
+M  V30 619 S 4.25 -40.25 0.0 0 CLASS=AA SEQID=28 ATTCHORD=(4 618 Al 620 Br)
+M  V30 620 G 5.75 -40.25 0.0 0 CLASS=AA SEQID=29 ATTCHORD=(4 619 Al 621 Br)
+M  V30 621 V 7.25 -40.25 0.0 0 CLASS=AA SEQID=30 ATTCHORD=(4 620 Al 622 Br)
+M  V30 622 H 8.75 -40.25 0.0 0 CLASS=AA SEQID=31 ATTCHORD=(4 621 Al 623 Br)
+M  V30 623 T 10.25 -40.25 0.0 0 CLASS=AA SEQID=32 ATTCHORD=(4 622 Al 624 Br)
+M  V30 624 F 11.75 -40.25 0.0 0 CLASS=AA SEQID=33 ATTCHORD=(4 623 Al 625 Br)
+M  V30 625 P 13.25 -40.25 0.0 0 CLASS=AA SEQID=34 ATTCHORD=(4 624 Al 626 Br)
+M  V30 626 A 14.75 -40.25 0.0 0 CLASS=AA SEQID=35 ATTCHORD=(4 625 Al 627 Br)
+M  V30 627 V 16.25 -40.25 0.0 0 CLASS=AA SEQID=36 ATTCHORD=(4 626 Al 628 Br)
+M  V30 628 L 17.75 -40.25 0.0 0 CLASS=AA SEQID=37 ATTCHORD=(4 627 Al 629 Br)
+M  V30 629 Q 19.25 -40.25 0.0 0 CLASS=AA SEQID=38 ATTCHORD=(4 628 Al 630 Br)
+M  V30 630 S 20.75 -40.25 0.0 0 CLASS=AA SEQID=39 ATTCHORD=(4 629 Al 631 Br)
+M  V30 631 S 22.25 -40.25 0.0 0 CLASS=AA SEQID=40 ATTCHORD=(4 630 Al 632 Br)
+M  V30 632 G 23.75 -40.25 0.0 0 CLASS=AA SEQID=41 ATTCHORD=(4 631 Al 633 Br)
+M  V30 633 L 25.25 -40.25 0.0 0 CLASS=AA SEQID=42 ATTCHORD=(4 632 Al 634 Br)
+M  V30 634 Y 26.75 -40.25 0.0 0 CLASS=AA SEQID=43 ATTCHORD=(4 633 Al 635 Br)
+M  V30 635 S 28.25 -40.25 0.0 0 CLASS=AA SEQID=44 ATTCHORD=(4 634 Al 636 Br)
+M  V30 636 L 29.75 -40.25 0.0 0 CLASS=AA SEQID=45 ATTCHORD=(4 635 Al 637 Br)
+M  V30 637 S 31.25 -40.25 0.0 0 CLASS=AA SEQID=46 ATTCHORD=(4 636 Al 638 Br)
+M  V30 638 S 32.75 -40.25 0.0 0 CLASS=AA SEQID=47 ATTCHORD=(4 637 Al 639 Br)
+M  V30 639 V 34.25 -40.25 0.0 0 CLASS=AA SEQID=48 ATTCHORD=(4 638 Al 640 Br)
+M  V30 640 V 35.75 -40.25 0.0 0 CLASS=AA SEQID=49 ATTCHORD=(4 639 Al 641 Br)
+M  V30 641 T 37.25 -40.25 0.0 0 CLASS=AA SEQID=50 ATTCHORD=(4 640 Al 642 Br)
+M  V30 642 V 1.25 -41.75 0.0 0 CLASS=AA SEQID=51 ATTCHORD=(4 641 Al 643 Br)
+M  V30 643 P 2.75 -41.75 0.0 0 CLASS=AA SEQID=52 ATTCHORD=(4 642 Al 644 Br)
+M  V30 644 S 4.25 -41.75 0.0 0 CLASS=AA SEQID=53 ATTCHORD=(4 643 Al 645 Br)
+M  V30 645 S 5.75 -41.75 0.0 0 CLASS=AA SEQID=54 ATTCHORD=(4 644 Al 646 Br)
+M  V30 646 S 7.25 -41.75 0.0 0 CLASS=AA SEQID=55 ATTCHORD=(4 645 Al 647 Br)
+M  V30 647 L 8.75 -41.75 0.0 0 CLASS=AA SEQID=56 ATTCHORD=(4 646 Al 648 Br)
+M  V30 648 G 10.25 -41.75 0.0 0 CLASS=AA SEQID=57 ATTCHORD=(4 647 Al 649 Br)
+M  V30 649 T 11.75 -41.75 0.0 0 CLASS=AA SEQID=58 ATTCHORD=(4 648 Al 650 Br)
+M  V30 650 Q 13.25 -41.75 0.0 0 CLASS=AA SEQID=59 ATTCHORD=(4 649 Al 651 Br)
+M  V30 651 T 14.75 -41.75 0.0 0 CLASS=AA SEQID=60 ATTCHORD=(4 650 Al 652 Br)
+M  V30 652 Y 16.25 -41.75 0.0 0 CLASS=AA SEQID=61 ATTCHORD=(4 651 Al 653 Br)
+M  V30 653 I 17.75 -41.75 0.0 0 CLASS=AA SEQID=62 ATTCHORD=(4 652 Al 654 Br)
+M  V30 654 C 19.25 -41.75 0.0 0 CLASS=AA SEQID=63 ATTCHORD=(6 653 Al 655 Br 9-
+M  V30 17 Cx)
+M  V30 655 N 20.75 -41.75 0.0 0 CLASS=AA SEQID=64 ATTCHORD=(4 654 Al 656 Br)
+M  V30 656 V 22.25 -41.75 0.0 0 CLASS=AA SEQID=65 ATTCHORD=(4 655 Al 657 Br)
+M  V30 657 N 23.75 -41.75 0.0 0 CLASS=AA SEQID=66 ATTCHORD=(4 656 Al 658 Br)
+M  V30 658 H 25.25 -41.75 0.0 0 CLASS=AA SEQID=67 ATTCHORD=(4 657 Al 659 Br)
+M  V30 659 K 26.75 -41.75 0.0 0 CLASS=AA SEQID=68 ATTCHORD=(4 658 Al 660 Br)
+M  V30 660 P 28.25 -41.75 0.0 0 CLASS=AA SEQID=69 ATTCHORD=(4 659 Al 661 Br)
+M  V30 661 S 29.75 -41.75 0.0 0 CLASS=AA SEQID=70 ATTCHORD=(4 660 Al 662 Br)
+M  V30 662 N 31.25 -41.75 0.0 0 CLASS=AA SEQID=71 ATTCHORD=(4 661 Al 663 Br)
+M  V30 663 T 32.75 -41.75 0.0 0 CLASS=AA SEQID=72 ATTCHORD=(4 662 Al 664 Br)
+M  V30 664 K 34.25 -41.75 0.0 0 CLASS=AA SEQID=73 ATTCHORD=(4 663 Al 665 Br)
+M  V30 665 V 35.75 -41.75 0.0 0 CLASS=AA SEQID=74 ATTCHORD=(4 664 Al 666 Br)
+M  V30 666 D 37.25 -41.75 0.0 0 CLASS=AA SEQID=75 ATTCHORD=(4 665 Al 667 Br)
+M  V30 667 K 1.25 -43.25 0.0 0 CLASS=AA SEQID=76 ATTCHORD=(4 666 Al 668 Br)
+M  V30 668 K 2.75 -43.25 0.0 0 CLASS=AA SEQID=77 ATTCHORD=(4 667 Al 669 Br)
+M  V30 669 V 4.25 -43.25 0.0 0 CLASS=AA SEQID=78 ATTCHORD=(4 668 Al 670 Br)
+M  V30 670 E 5.75 -43.25 0.0 0 CLASS=AA SEQID=79 ATTCHORD=(4 669 Al 671 Br)
+M  V30 671 P 7.25 -43.25 0.0 0 CLASS=AA SEQID=80 ATTCHORD=(4 670 Al 672 Br)
+M  V30 672 K 8.75 -43.25 0.0 0 CLASS=AA SEQID=81 ATTCHORD=(4 671 Al 673 Br)
+M  V30 673 S 10.25 -43.25 0.0 0 CLASS=AA SEQID=82 ATTCHORD=(4 672 Al 674 Br)
+M  V30 674 C 11.75 -43.25 0.0 0 CLASS=AA SEQID=83 ATTCHORD=(6 673 Al 675 Br 9-
+M  V30 00 Cx)
+M  V30 675 D 13.25 -43.25 0.0 0 CLASS=AA SEQID=84 ATTCHORD=(4 674 Al 676 Br)
+M  V30 676 K 14.75 -43.25 0.0 0 CLASS=AA SEQID=85 ATTCHORD=(4 675 Al 677 Br)
+M  V30 677 T 16.25 -43.25 0.0 0 CLASS=AA SEQID=86 ATTCHORD=(4 676 Al 678 Br)
+M  V30 678 H 17.75 -43.25 0.0 0 CLASS=AA SEQID=87 ATTCHORD=(4 677 Al 679 Br)
+M  V30 679 T 19.25 -43.25 0.0 0 CLASS=AA SEQID=88 ATTCHORD=(4 678 Al 680 Br)
+M  V30 680 C 20.75 -43.25 0.0 0 CLASS=AA SEQID=89 ATTCHORD=(6 679 Al 681 Br 2-
+M  V30 29 Cx)
+M  V30 681 P 22.25 -43.25 0.0 0 CLASS=AA SEQID=90 ATTCHORD=(4 680 Al 682 Br)
+M  V30 682 P 23.75 -43.25 0.0 0 CLASS=AA SEQID=91 ATTCHORD=(4 681 Al 683 Br)
+M  V30 683 C 25.25 -43.25 0.0 0 CLASS=AA SEQID=92 ATTCHORD=(6 682 Al 684 Br 2-
+M  V30 32 Cx)
+M  V30 684 P 26.75 -43.25 0.0 0 CLASS=AA SEQID=93 ATTCHORD=(4 683 Al 685 Br)
+M  V30 685 A 28.25 -43.25 0.0 0 CLASS=AA SEQID=94 ATTCHORD=(4 684 Al 686 Br)
+M  V30 686 P 29.75 -43.25 0.0 0 CLASS=AA SEQID=95 ATTCHORD=(4 685 Al 921 Br)
+M  V30 687 D 1.25 -44.75 0.0 0 CLASS=AA SEQID=1 ATTCHORD=(2 688 Br)
+M  V30 688 I 2.75 -44.75 0.0 0 CLASS=AA SEQID=2 ATTCHORD=(4 687 Al 689 Br)
+M  V30 689 Q 4.25 -44.75 0.0 0 CLASS=AA SEQID=3 ATTCHORD=(4 688 Al 690 Br)
+M  V30 690 M 5.75 -44.75 0.0 0 CLASS=AA SEQID=4 ATTCHORD=(4 689 Al 691 Br)
+M  V30 691 T 7.25 -44.75 0.0 0 CLASS=AA SEQID=5 ATTCHORD=(4 690 Al 692 Br)
+M  V30 692 Q 8.75 -44.75 0.0 0 CLASS=AA SEQID=6 ATTCHORD=(4 691 Al 693 Br)
+M  V30 693 S 10.25 -44.75 0.0 0 CLASS=AA SEQID=7 ATTCHORD=(4 692 Al 694 Br)
+M  V30 694 P 11.75 -44.75 0.0 0 CLASS=AA SEQID=8 ATTCHORD=(4 693 Al 695 Br)
+M  V30 695 S 13.25 -44.75 0.0 0 CLASS=AA SEQID=9 ATTCHORD=(4 694 Al 696 Br)
+M  V30 696 S 14.75 -44.75 0.0 0 CLASS=AA SEQID=10 ATTCHORD=(4 695 Al 697 Br)
+M  V30 697 L 16.25 -44.75 0.0 0 CLASS=AA SEQID=11 ATTCHORD=(4 696 Al 698 Br)
+M  V30 698 S 17.75 -44.75 0.0 0 CLASS=AA SEQID=12 ATTCHORD=(4 697 Al 699 Br)
+M  V30 699 A 19.25 -44.75 0.0 0 CLASS=AA SEQID=13 ATTCHORD=(4 698 Al 700 Br)
+M  V30 700 S 20.75 -44.75 0.0 0 CLASS=AA SEQID=14 ATTCHORD=(4 699 Al 701 Br)
+M  V30 701 V 22.25 -44.75 0.0 0 CLASS=AA SEQID=15 ATTCHORD=(4 700 Al 702 Br)
+M  V30 702 G 23.75 -44.75 0.0 0 CLASS=AA SEQID=16 ATTCHORD=(4 701 Al 703 Br)
+M  V30 703 D 25.25 -44.75 0.0 0 CLASS=AA SEQID=17 ATTCHORD=(4 702 Al 704 Br)
+M  V30 704 R 26.75 -44.75 0.0 0 CLASS=AA SEQID=18 ATTCHORD=(4 703 Al 705 Br)
+M  V30 705 V 28.25 -44.75 0.0 0 CLASS=AA SEQID=19 ATTCHORD=(4 704 Al 706 Br)
+M  V30 706 T 29.75 -44.75 0.0 0 CLASS=AA SEQID=20 ATTCHORD=(4 705 Al 707 Br)
+M  V30 707 I 31.25 -44.75 0.0 0 CLASS=AA SEQID=21 ATTCHORD=(4 706 Al 708 Br)
+M  V30 708 T 32.75 -44.75 0.0 0 CLASS=AA SEQID=22 ATTCHORD=(4 707 Al 709 Br)
+M  V30 709 C 34.25 -44.75 0.0 0 CLASS=AA SEQID=23 ATTCHORD=(6 708 Al 710 Br 7-
+M  V30 74 Cx)
+M  V30 710 R 35.75 -44.75 0.0 0 CLASS=AA SEQID=24 ATTCHORD=(4 709 Al 711 Br)
+M  V30 711 A 37.25 -44.75 0.0 0 CLASS=AA SEQID=25 ATTCHORD=(4 710 Al 712 Br)
+M  V30 712 S 1.25 -46.25 0.0 0 CLASS=AA SEQID=26 ATTCHORD=(4 711 Al 713 Br)
+M  V30 713 Q 2.75 -46.25 0.0 0 CLASS=AA SEQID=27 ATTCHORD=(4 712 Al 714 Br)
+M  V30 714 D 4.25 -46.25 0.0 0 CLASS=AA SEQID=28 ATTCHORD=(4 713 Al 715 Br)
+M  V30 715 V 5.75 -46.25 0.0 0 CLASS=AA SEQID=29 ATTCHORD=(4 714 Al 716 Br)
+M  V30 716 N 7.25 -46.25 0.0 0 CLASS=AA SEQID=30 ATTCHORD=(4 715 Al 717 Br)
+M  V30 717 T 8.75 -46.25 0.0 0 CLASS=AA SEQID=31 ATTCHORD=(4 716 Al 718 Br)
+M  V30 718 A 10.25 -46.25 0.0 0 CLASS=AA SEQID=32 ATTCHORD=(4 717 Al 719 Br)
+M  V30 719 V 11.75 -46.25 0.0 0 CLASS=AA SEQID=33 ATTCHORD=(4 718 Al 720 Br)
+M  V30 720 A 13.25 -46.25 0.0 0 CLASS=AA SEQID=34 ATTCHORD=(4 719 Al 721 Br)
+M  V30 721 W 14.75 -46.25 0.0 0 CLASS=AA SEQID=35 ATTCHORD=(4 720 Al 722 Br)
+M  V30 722 Y 16.25 -46.25 0.0 0 CLASS=AA SEQID=36 ATTCHORD=(4 721 Al 723 Br)
+M  V30 723 Q 17.75 -46.25 0.0 0 CLASS=AA SEQID=37 ATTCHORD=(4 722 Al 724 Br)
+M  V30 724 Q 19.25 -46.25 0.0 0 CLASS=AA SEQID=38 ATTCHORD=(4 723 Al 725 Br)
+M  V30 725 K 20.75 -46.25 0.0 0 CLASS=AA SEQID=39 ATTCHORD=(4 724 Al 726 Br)
+M  V30 726 P 22.25 -46.25 0.0 0 CLASS=AA SEQID=40 ATTCHORD=(4 725 Al 727 Br)
+M  V30 727 G 23.75 -46.25 0.0 0 CLASS=AA SEQID=41 ATTCHORD=(4 726 Al 728 Br)
+M  V30 728 K 25.25 -46.25 0.0 0 CLASS=AA SEQID=42 ATTCHORD=(4 727 Al 729 Br)
+M  V30 729 A 26.75 -46.25 0.0 0 CLASS=AA SEQID=43 ATTCHORD=(4 728 Al 730 Br)
+M  V30 730 P 28.25 -46.25 0.0 0 CLASS=AA SEQID=44 ATTCHORD=(4 729 Al 731 Br)
+M  V30 731 K 29.75 -46.25 0.0 0 CLASS=AA SEQID=45 ATTCHORD=(4 730 Al 732 Br)
+M  V30 732 L 31.25 -46.25 0.0 0 CLASS=AA SEQID=46 ATTCHORD=(4 731 Al 733 Br)
+M  V30 733 L 32.75 -46.25 0.0 0 CLASS=AA SEQID=47 ATTCHORD=(4 732 Al 734 Br)
+M  V30 734 I 34.25 -46.25 0.0 0 CLASS=AA SEQID=48 ATTCHORD=(4 733 Al 735 Br)
+M  V30 735 Y 35.75 -46.25 0.0 0 CLASS=AA SEQID=49 ATTCHORD=(4 734 Al 736 Br)
+M  V30 736 S 37.25 -46.25 0.0 0 CLASS=AA SEQID=50 ATTCHORD=(4 735 Al 737 Br)
+M  V30 737 A 1.25 -47.75 0.0 0 CLASS=AA SEQID=51 ATTCHORD=(4 736 Al 738 Br)
+M  V30 738 S 2.75 -47.75 0.0 0 CLASS=AA SEQID=52 ATTCHORD=(4 737 Al 739 Br)
+M  V30 739 F 4.25 -47.75 0.0 0 CLASS=AA SEQID=53 ATTCHORD=(4 738 Al 740 Br)
+M  V30 740 L 5.75 -47.75 0.0 0 CLASS=AA SEQID=54 ATTCHORD=(4 739 Al 741 Br)
+M  V30 741 Y 7.25 -47.75 0.0 0 CLASS=AA SEQID=55 ATTCHORD=(4 740 Al 742 Br)
+M  V30 742 S 8.75 -47.75 0.0 0 CLASS=AA SEQID=56 ATTCHORD=(4 741 Al 743 Br)
+M  V30 743 G 10.25 -47.75 0.0 0 CLASS=AA SEQID=57 ATTCHORD=(4 742 Al 744 Br)
+M  V30 744 V 11.75 -47.75 0.0 0 CLASS=AA SEQID=58 ATTCHORD=(4 743 Al 745 Br)
+M  V30 745 P 13.25 -47.75 0.0 0 CLASS=AA SEQID=59 ATTCHORD=(4 744 Al 746 Br)
+M  V30 746 S 14.75 -47.75 0.0 0 CLASS=AA SEQID=60 ATTCHORD=(4 745 Al 747 Br)
+M  V30 747 R 16.25 -47.75 0.0 0 CLASS=AA SEQID=61 ATTCHORD=(4 746 Al 748 Br)
+M  V30 748 F 17.75 -47.75 0.0 0 CLASS=AA SEQID=62 ATTCHORD=(4 747 Al 749 Br)
+M  V30 749 S 19.25 -47.75 0.0 0 CLASS=AA SEQID=63 ATTCHORD=(4 748 Al 750 Br)
+M  V30 750 G 20.75 -47.75 0.0 0 CLASS=AA SEQID=64 ATTCHORD=(4 749 Al 751 Br)
+M  V30 751 S 22.25 -47.75 0.0 0 CLASS=AA SEQID=65 ATTCHORD=(4 750 Al 752 Br)
+M  V30 752 R 23.75 -47.75 0.0 0 CLASS=AA SEQID=66 ATTCHORD=(4 751 Al 753 Br)
+M  V30 753 S 25.25 -47.75 0.0 0 CLASS=AA SEQID=67 ATTCHORD=(4 752 Al 754 Br)
+M  V30 754 G 26.75 -47.75 0.0 0 CLASS=AA SEQID=68 ATTCHORD=(4 753 Al 755 Br)
+M  V30 755 T 28.25 -47.75 0.0 0 CLASS=AA SEQID=69 ATTCHORD=(4 754 Al 756 Br)
+M  V30 756 D 29.75 -47.75 0.0 0 CLASS=AA SEQID=70 ATTCHORD=(4 755 Al 757 Br)
+M  V30 757 F 31.25 -47.75 0.0 0 CLASS=AA SEQID=71 ATTCHORD=(4 756 Al 758 Br)
+M  V30 758 T 32.75 -47.75 0.0 0 CLASS=AA SEQID=72 ATTCHORD=(4 757 Al 759 Br)
+M  V30 759 L 34.25 -47.75 0.0 0 CLASS=AA SEQID=73 ATTCHORD=(4 758 Al 760 Br)
+M  V30 760 T 35.75 -47.75 0.0 0 CLASS=AA SEQID=74 ATTCHORD=(4 759 Al 761 Br)
+M  V30 761 I 37.25 -47.75 0.0 0 CLASS=AA SEQID=75 ATTCHORD=(4 760 Al 762 Br)
+M  V30 762 S 1.25 -49.25 0.0 0 CLASS=AA SEQID=76 ATTCHORD=(4 761 Al 763 Br)
+M  V30 763 S 2.75 -49.25 0.0 0 CLASS=AA SEQID=77 ATTCHORD=(4 762 Al 764 Br)
+M  V30 764 L 4.25 -49.25 0.0 0 CLASS=AA SEQID=78 ATTCHORD=(4 763 Al 765 Br)
+M  V30 765 Q 5.75 -49.25 0.0 0 CLASS=AA SEQID=79 ATTCHORD=(4 764 Al 766 Br)
+M  V30 766 P 7.25 -49.25 0.0 0 CLASS=AA SEQID=80 ATTCHORD=(4 765 Al 767 Br)
+M  V30 767 E 8.75 -49.25 0.0 0 CLASS=AA SEQID=81 ATTCHORD=(4 766 Al 768 Br)
+M  V30 768 D 10.25 -49.25 0.0 0 CLASS=AA SEQID=82 ATTCHORD=(4 767 Al 769 Br)
+M  V30 769 F 11.75 -49.25 0.0 0 CLASS=AA SEQID=83 ATTCHORD=(4 768 Al 770 Br)
+M  V30 770 A 13.25 -49.25 0.0 0 CLASS=AA SEQID=84 ATTCHORD=(4 769 Al 771 Br)
+M  V30 771 T 14.75 -49.25 0.0 0 CLASS=AA SEQID=85 ATTCHORD=(4 770 Al 772 Br)
+M  V30 772 Y 16.25 -49.25 0.0 0 CLASS=AA SEQID=86 ATTCHORD=(4 771 Al 773 Br)
+M  V30 773 Y 17.75 -49.25 0.0 0 CLASS=AA SEQID=87 ATTCHORD=(4 772 Al 774 Br)
+M  V30 774 C 19.25 -49.25 0.0 0 CLASS=AA SEQID=88 ATTCHORD=(6 773 Al 775 Br 7-
+M  V30 09 Cx)
+M  V30 775 Q 20.75 -49.25 0.0 0 CLASS=AA SEQID=89 ATTCHORD=(4 774 Al 776 Br)
+M  V30 776 Q 22.25 -49.25 0.0 0 CLASS=AA SEQID=90 ATTCHORD=(4 775 Al 777 Br)
+M  V30 777 H 23.75 -49.25 0.0 0 CLASS=AA SEQID=91 ATTCHORD=(4 776 Al 778 Br)
+M  V30 778 Y 25.25 -49.25 0.0 0 CLASS=AA SEQID=92 ATTCHORD=(4 777 Al 779 Br)
+M  V30 779 T 26.75 -49.25 0.0 0 CLASS=AA SEQID=93 ATTCHORD=(4 778 Al 780 Br)
+M  V30 780 T 28.25 -49.25 0.0 0 CLASS=AA SEQID=94 ATTCHORD=(4 779 Al 781 Br)
+M  V30 781 P 29.75 -49.25 0.0 0 CLASS=AA SEQID=95 ATTCHORD=(4 780 Al 782 Br)
+M  V30 782 P 31.25 -49.25 0.0 0 CLASS=AA SEQID=96 ATTCHORD=(4 781 Al 783 Br)
+M  V30 783 T 32.75 -49.25 0.0 0 CLASS=AA SEQID=97 ATTCHORD=(4 782 Al 784 Br)
+M  V30 784 F 34.25 -49.25 0.0 0 CLASS=AA SEQID=98 ATTCHORD=(4 783 Al 785 Br)
+M  V30 785 G 35.75 -49.25 0.0 0 CLASS=AA SEQID=99 ATTCHORD=(4 784 Al 786 Br)
+M  V30 786 Q 37.25 -49.25 0.0 0 CLASS=AA SEQID=100 ATTCHORD=(4 785 Al 787 Br)
+M  V30 787 G 1.25 -50.75 0.0 0 CLASS=AA SEQID=101 ATTCHORD=(4 786 Al 788 Br)
+M  V30 788 T 2.75 -50.75 0.0 0 CLASS=AA SEQID=102 ATTCHORD=(4 787 Al 789 Br)
+M  V30 789 K 4.25 -50.75 0.0 0 CLASS=AA SEQID=103 ATTCHORD=(4 788 Al 790 Br)
+M  V30 790 V 5.75 -50.75 0.0 0 CLASS=AA SEQID=104 ATTCHORD=(4 789 Al 791 Br)
+M  V30 791 E 7.25 -50.75 0.0 0 CLASS=AA SEQID=105 ATTCHORD=(4 790 Al 792 Br)
+M  V30 792 I 8.75 -50.75 0.0 0 CLASS=AA SEQID=106 ATTCHORD=(4 791 Al 793 Br)
+M  V30 793 K 10.25 -50.75 0.0 0 CLASS=AA SEQID=107 ATTCHORD=(4 792 Al 794 Br)
+M  V30 794 R 11.75 -50.75 0.0 0 CLASS=AA SEQID=108 ATTCHORD=(4 793 Al 795 Br)
+M  V30 795 T 13.25 -50.75 0.0 0 CLASS=AA SEQID=109 ATTCHORD=(4 794 Al 796 Br)
+M  V30 796 V 14.75 -50.75 0.0 0 CLASS=AA SEQID=110 ATTCHORD=(4 795 Al 797 Br)
+M  V30 797 A 16.25 -50.75 0.0 0 CLASS=AA SEQID=111 ATTCHORD=(4 796 Al 798 Br)
+M  V30 798 A 17.75 -50.75 0.0 0 CLASS=AA SEQID=112 ATTCHORD=(4 797 Al 799 Br)
+M  V30 799 P 19.25 -50.75 0.0 0 CLASS=AA SEQID=113 ATTCHORD=(4 798 Al 800 Br)
+M  V30 800 S 20.75 -50.75 0.0 0 CLASS=AA SEQID=114 ATTCHORD=(4 799 Al 801 Br)
+M  V30 801 V 22.25 -50.75 0.0 0 CLASS=AA SEQID=115 ATTCHORD=(4 800 Al 802 Br)
+M  V30 802 F 23.75 -50.75 0.0 0 CLASS=AA SEQID=116 ATTCHORD=(4 801 Al 803 Br)
+M  V30 803 I 25.25 -50.75 0.0 0 CLASS=AA SEQID=117 ATTCHORD=(4 802 Al 804 Br)
+M  V30 804 F 26.75 -50.75 0.0 0 CLASS=AA SEQID=118 ATTCHORD=(4 803 Al 805 Br)
+M  V30 805 P 28.25 -50.75 0.0 0 CLASS=AA SEQID=119 ATTCHORD=(4 804 Al 806 Br)
+M  V30 806 P 29.75 -50.75 0.0 0 CLASS=AA SEQID=120 ATTCHORD=(4 805 Al 807 Br)
+M  V30 807 S 31.25 -50.75 0.0 0 CLASS=AA SEQID=121 ATTCHORD=(4 806 Al 808 Br)
+M  V30 808 D 32.75 -50.75 0.0 0 CLASS=AA SEQID=122 ATTCHORD=(4 807 Al 809 Br)
+M  V30 809 E 34.25 -50.75 0.0 0 CLASS=AA SEQID=123 ATTCHORD=(4 808 Al 810 Br)
+M  V30 810 Q 35.75 -50.75 0.0 0 CLASS=AA SEQID=124 ATTCHORD=(4 809 Al 811 Br)
+M  V30 811 L 37.25 -50.75 0.0 0 CLASS=AA SEQID=125 ATTCHORD=(4 810 Al 812 Br)
+M  V30 812 K 1.25 -52.25 0.0 0 CLASS=AA SEQID=126 ATTCHORD=(4 811 Al 813 Br)
+M  V30 813 S 2.75 -52.25 0.0 0 CLASS=AA SEQID=127 ATTCHORD=(4 812 Al 814 Br)
+M  V30 814 G 4.25 -52.25 0.0 0 CLASS=AA SEQID=128 ATTCHORD=(4 813 Al 815 Br)
+M  V30 815 T 5.75 -52.25 0.0 0 CLASS=AA SEQID=129 ATTCHORD=(4 814 Al 816 Br)
+M  V30 816 A 7.25 -52.25 0.0 0 CLASS=AA SEQID=130 ATTCHORD=(4 815 Al 817 Br)
+M  V30 817 S 8.75 -52.25 0.0 0 CLASS=AA SEQID=131 ATTCHORD=(4 816 Al 818 Br)
+M  V30 818 V 10.25 -52.25 0.0 0 CLASS=AA SEQID=132 ATTCHORD=(4 817 Al 819 Br)
+M  V30 819 V 11.75 -52.25 0.0 0 CLASS=AA SEQID=133 ATTCHORD=(4 818 Al 820 Br)
+M  V30 820 C 13.25 -52.25 0.0 0 CLASS=AA SEQID=134 ATTCHORD=(6 819 Al 821 Br -
+M  V30 880 Cx)
+M  V30 821 L 14.75 -52.25 0.0 0 CLASS=AA SEQID=135 ATTCHORD=(4 820 Al 822 Br)
+M  V30 822 L 16.25 -52.25 0.0 0 CLASS=AA SEQID=136 ATTCHORD=(4 821 Al 823 Br)
+M  V30 823 N 17.75 -52.25 0.0 0 CLASS=AA SEQID=137 ATTCHORD=(4 822 Al 824 Br)
+M  V30 824 N 19.25 -52.25 0.0 0 CLASS=AA SEQID=138 ATTCHORD=(4 823 Al 825 Br)
+M  V30 825 F 20.75 -52.25 0.0 0 CLASS=AA SEQID=139 ATTCHORD=(4 824 Al 826 Br)
+M  V30 826 Y 22.25 -52.25 0.0 0 CLASS=AA SEQID=140 ATTCHORD=(4 825 Al 827 Br)
+M  V30 827 P 23.75 -52.25 0.0 0 CLASS=AA SEQID=141 ATTCHORD=(4 826 Al 828 Br)
+M  V30 828 R 25.25 -52.25 0.0 0 CLASS=AA SEQID=142 ATTCHORD=(4 827 Al 829 Br)
+M  V30 829 E 26.75 -52.25 0.0 0 CLASS=AA SEQID=143 ATTCHORD=(4 828 Al 830 Br)
+M  V30 830 A 28.25 -52.25 0.0 0 CLASS=AA SEQID=144 ATTCHORD=(4 829 Al 831 Br)
+M  V30 831 K 29.75 -52.25 0.0 0 CLASS=AA SEQID=145 ATTCHORD=(4 830 Al 832 Br)
+M  V30 832 V 31.25 -52.25 0.0 0 CLASS=AA SEQID=146 ATTCHORD=(4 831 Al 833 Br)
+M  V30 833 Q 32.75 -52.25 0.0 0 CLASS=AA SEQID=147 ATTCHORD=(4 832 Al 834 Br)
+M  V30 834 W 34.25 -52.25 0.0 0 CLASS=AA SEQID=148 ATTCHORD=(4 833 Al 835 Br)
+M  V30 835 K 35.75 -52.25 0.0 0 CLASS=AA SEQID=149 ATTCHORD=(4 834 Al 836 Br)
+M  V30 836 V 37.25 -52.25 0.0 0 CLASS=AA SEQID=150 ATTCHORD=(4 835 Al 837 Br)
+M  V30 837 D 1.25 -53.75 0.0 0 CLASS=AA SEQID=151 ATTCHORD=(4 836 Al 838 Br)
+M  V30 838 N 2.75 -53.75 0.0 0 CLASS=AA SEQID=152 ATTCHORD=(4 837 Al 839 Br)
+M  V30 839 A 4.25 -53.75 0.0 0 CLASS=AA SEQID=153 ATTCHORD=(4 838 Al 840 Br)
+M  V30 840 L 5.75 -53.75 0.0 0 CLASS=AA SEQID=154 ATTCHORD=(4 839 Al 841 Br)
+M  V30 841 Q 7.25 -53.75 0.0 0 CLASS=AA SEQID=155 ATTCHORD=(4 840 Al 842 Br)
+M  V30 842 S 8.75 -53.75 0.0 0 CLASS=AA SEQID=156 ATTCHORD=(4 841 Al 843 Br)
+M  V30 843 G 10.25 -53.75 0.0 0 CLASS=AA SEQID=157 ATTCHORD=(4 842 Al 844 Br)
+M  V30 844 N 11.75 -53.75 0.0 0 CLASS=AA SEQID=158 ATTCHORD=(4 843 Al 845 Br)
+M  V30 845 S 13.25 -53.75 0.0 0 CLASS=AA SEQID=159 ATTCHORD=(4 844 Al 846 Br)
+M  V30 846 Q 14.75 -53.75 0.0 0 CLASS=AA SEQID=160 ATTCHORD=(4 845 Al 847 Br)
+M  V30 847 E 16.25 -53.75 0.0 0 CLASS=AA SEQID=161 ATTCHORD=(4 846 Al 848 Br)
+M  V30 848 S 17.75 -53.75 0.0 0 CLASS=AA SEQID=162 ATTCHORD=(4 847 Al 849 Br)
+M  V30 849 V 19.25 -53.75 0.0 0 CLASS=AA SEQID=163 ATTCHORD=(4 848 Al 850 Br)
+M  V30 850 T 20.75 -53.75 0.0 0 CLASS=AA SEQID=164 ATTCHORD=(4 849 Al 851 Br)
+M  V30 851 E 22.25 -53.75 0.0 0 CLASS=AA SEQID=165 ATTCHORD=(4 850 Al 852 Br)
+M  V30 852 Q 23.75 -53.75 0.0 0 CLASS=AA SEQID=166 ATTCHORD=(4 851 Al 853 Br)
+M  V30 853 D 25.25 -53.75 0.0 0 CLASS=AA SEQID=167 ATTCHORD=(4 852 Al 854 Br)
+M  V30 854 S 26.75 -53.75 0.0 0 CLASS=AA SEQID=168 ATTCHORD=(4 853 Al 855 Br)
+M  V30 855 K 28.25 -53.75 0.0 0 CLASS=AA SEQID=169 ATTCHORD=(4 854 Al 856 Br)
+M  V30 856 D 29.75 -53.75 0.0 0 CLASS=AA SEQID=170 ATTCHORD=(4 855 Al 857 Br)
+M  V30 857 S 31.25 -53.75 0.0 0 CLASS=AA SEQID=171 ATTCHORD=(4 856 Al 858 Br)
+M  V30 858 T 32.75 -53.75 0.0 0 CLASS=AA SEQID=172 ATTCHORD=(4 857 Al 859 Br)
+M  V30 859 Y 34.25 -53.75 0.0 0 CLASS=AA SEQID=173 ATTCHORD=(4 858 Al 860 Br)
+M  V30 860 S 35.75 -53.75 0.0 0 CLASS=AA SEQID=174 ATTCHORD=(4 859 Al 861 Br)
+M  V30 861 L 37.25 -53.75 0.0 0 CLASS=AA SEQID=175 ATTCHORD=(4 860 Al 862 Br)
+M  V30 862 S 1.25 -55.25 0.0 0 CLASS=AA SEQID=176 ATTCHORD=(4 861 Al 863 Br)
+M  V30 863 S 2.75 -55.25 0.0 0 CLASS=AA SEQID=177 ATTCHORD=(4 862 Al 864 Br)
+M  V30 864 T 4.25 -55.25 0.0 0 CLASS=AA SEQID=178 ATTCHORD=(4 863 Al 865 Br)
+M  V30 865 L 5.75 -55.25 0.0 0 CLASS=AA SEQID=179 ATTCHORD=(4 864 Al 866 Br)
+M  V30 866 T 7.25 -55.25 0.0 0 CLASS=AA SEQID=180 ATTCHORD=(4 865 Al 867 Br)
+M  V30 867 L 8.75 -55.25 0.0 0 CLASS=AA SEQID=181 ATTCHORD=(4 866 Al 868 Br)
+M  V30 868 S 10.25 -55.25 0.0 0 CLASS=AA SEQID=182 ATTCHORD=(4 867 Al 869 Br)
+M  V30 869 K 11.75 -55.25 0.0 0 CLASS=AA SEQID=183 ATTCHORD=(4 868 Al 870 Br)
+M  V30 870 A 13.25 -55.25 0.0 0 CLASS=AA SEQID=184 ATTCHORD=(4 869 Al 871 Br)
+M  V30 871 D 14.75 -55.25 0.0 0 CLASS=AA SEQID=185 ATTCHORD=(4 870 Al 872 Br)
+M  V30 872 Y 16.25 -55.25 0.0 0 CLASS=AA SEQID=186 ATTCHORD=(4 871 Al 873 Br)
+M  V30 873 E 17.75 -55.25 0.0 0 CLASS=AA SEQID=187 ATTCHORD=(4 872 Al 874 Br)
+M  V30 874 K 19.25 -55.25 0.0 0 CLASS=AA SEQID=188 ATTCHORD=(4 873 Al 875 Br)
+M  V30 875 H 20.75 -55.25 0.0 0 CLASS=AA SEQID=189 ATTCHORD=(4 874 Al 876 Br)
+M  V30 876 K 22.25 -55.25 0.0 0 CLASS=AA SEQID=190 ATTCHORD=(4 875 Al 877 Br)
+M  V30 877 V 23.75 -55.25 0.0 0 CLASS=AA SEQID=191 ATTCHORD=(4 876 Al 878 Br)
+M  V30 878 Y 25.25 -55.25 0.0 0 CLASS=AA SEQID=192 ATTCHORD=(4 877 Al 879 Br)
+M  V30 879 A 26.75 -55.25 0.0 0 CLASS=AA SEQID=193 ATTCHORD=(4 878 Al 880 Br)
+M  V30 880 C 28.25 -55.25 0.0 0 CLASS=AA SEQID=194 ATTCHORD=(6 879 Al 881 Br -
+M  V30 820 Cx)
+M  V30 881 E 29.75 -55.25 0.0 0 CLASS=AA SEQID=195 ATTCHORD=(4 880 Al 882 Br)
+M  V30 882 V 31.25 -55.25 0.0 0 CLASS=AA SEQID=196 ATTCHORD=(4 881 Al 883 Br)
+M  V30 883 T 32.75 -55.25 0.0 0 CLASS=AA SEQID=197 ATTCHORD=(4 882 Al 884 Br)
+M  V30 884 H 34.25 -55.25 0.0 0 CLASS=AA SEQID=198 ATTCHORD=(4 883 Al 885 Br)
+M  V30 885 Q 35.75 -55.25 0.0 0 CLASS=AA SEQID=199 ATTCHORD=(4 884 Al 886 Br)
+M  V30 886 G 37.25 -55.25 0.0 0 CLASS=AA SEQID=200 ATTCHORD=(4 885 Al 887 Br)
+M  V30 887 L 1.25 -56.75 0.0 0 CLASS=AA SEQID=201 ATTCHORD=(4 886 Al 888 Br)
+M  V30 888 S 2.75 -56.75 0.0 0 CLASS=AA SEQID=202 ATTCHORD=(4 887 Al 889 Br)
+M  V30 889 S 4.25 -56.75 0.0 0 CLASS=AA SEQID=203 ATTCHORD=(4 888 Al 890 Br)
+M  V30 890 P 5.75 -56.75 0.0 0 CLASS=AA SEQID=204 ATTCHORD=(4 889 Al 891 Br)
+M  V30 891 V 7.25 -56.75 0.0 0 CLASS=AA SEQID=205 ATTCHORD=(4 890 Al 892 Br)
+M  V30 892 T 8.75 -56.75 0.0 0 CLASS=AA SEQID=206 ATTCHORD=(4 891 Al 893 Br)
+M  V30 893 K 10.25 -56.75 0.0 0 CLASS=AA SEQID=207 ATTCHORD=(4 892 Al 894 Br)
+M  V30 894 S 11.75 -56.75 0.0 0 CLASS=AA SEQID=208 ATTCHORD=(4 893 Al 895 Br)
+M  V30 895 F 13.25 -56.75 0.0 0 CLASS=AA SEQID=209 ATTCHORD=(4 894 Al 896 Br)
+M  V30 896 N 14.75 -56.75 0.0 0 CLASS=AA SEQID=210 ATTCHORD=(4 895 Al 897 Br)
+M  V30 897 R 16.25 -56.75 0.0 0 CLASS=AA SEQID=211 ATTCHORD=(4 896 Al 898 Br)
+M  V30 898 G 17.75 -56.75 0.0 0 CLASS=AA SEQID=212 ATTCHORD=(4 897 Al 899 Br)
+M  V30 899 E 19.25 -56.75 0.0 0 CLASS=AA SEQID=213 ATTCHORD=(4 898 Al 900 Br)
+M  V30 900 C 20.75 -56.75 0.0 0 CLASS=AA SEQID=214 ATTCHORD=(4 899 Al 674 Cx)
+M  V30 901 D 16.25 -38.75 0.0 0 CLASS=AA SEQID=11 ATTCHORD=(4 902 Br 920 Al)
+M  V30 902 Y 17.75 -38.75 0.0 0 CLASS=AA SEQID=12 ATTCHORD=(4 901 Al 903 Br)
+M  V30 903 F 19.25 -38.75 0.0 0 CLASS=AA SEQID=13 ATTCHORD=(4 902 Al 904 Br)
+M  V30 904 P 20.75 -38.75 0.0 0 CLASS=AA SEQID=14 ATTCHORD=(4 903 Al 905 Br)
+M  V30 905 E 22.25 -38.75 0.0 0 CLASS=AA SEQID=15 ATTCHORD=(4 904 Al 906 Br)
+M  V30 906 P 23.75 -38.75 0.0 0 CLASS=AA SEQID=16 ATTCHORD=(4 905 Al 907 Br)
+M  V30 907 V 25.25 -38.75 0.0 0 CLASS=AA SEQID=17 ATTCHORD=(4 906 Al 908 Br)
+M  V30 908 T 26.75 -38.75 0.0 0 CLASS=AA SEQID=18 ATTCHORD=(4 907 Al 909 Br)
+M  V30 909 V 28.25 -38.75 0.0 0 CLASS=AA SEQID=19 ATTCHORD=(4 908 Al 910 Br)
+M  V30 910 S 29.75 -38.75 0.0 0 CLASS=AA SEQID=20 ATTCHORD=(4 612 Br 909 Al)
+M  V30 911 G 1.25 -38.75 0.0 0 CLASS=AA SEQID=1 ATTCHORD=(2 912 Br)
+M  V30 912 T 2.75 -38.75 0.0 0 CLASS=AA SEQID=2 ATTCHORD=(4 911 Al 913 Br)
+M  V30 913 A 4.25 -38.75 0.0 0 CLASS=AA SEQID=3 ATTCHORD=(4 912 Al 914 Br)
+M  V30 914 A 5.75 -38.75 0.0 0 CLASS=AA SEQID=4 ATTCHORD=(4 913 Al 915 Br)
+M  V30 915 L 7.25 -38.75 0.0 0 CLASS=AA SEQID=5 ATTCHORD=(4 914 Al 916 Br)
+M  V30 916 G 8.75 -38.75 0.0 0 CLASS=AA SEQID=6 ATTCHORD=(4 915 Al 917 Br)
+M  V30 917 C 10.25 -38.75 0.0 0 CLASS=AA SEQID=7 ATTCHORD=(6 654 Cx 916 Al 91-
+M  V30 8 Br)
+M  V30 918 L 11.75 -38.75 0.0 0 CLASS=AA SEQID=8 ATTCHORD=(4 917 Al 919 Br)
+M  V30 919 V 13.25 -38.75 0.0 0 CLASS=AA SEQID=9 ATTCHORD=(4 918 Al 920 Br)
+M  V30 920 K 14.75 -38.75 0.0 0 CLASS=AA SEQID=10 ATTCHORD=(4 901 Br 919 Al)
+M  V30 921 A 31.25 -43.25 0.0 0 CLASS=AA SEQID=96 ATTCHORD=(4 686 Al 922 Br)
+M  V30 922 A 32.75 -43.25 0.0 0 CLASS=AA SEQID=97 ATTCHORD=(2 921 Al)
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 1 2 3
+M  V30 3 1 3 4
+M  V30 4 1 4 5
+M  V30 5 1 5 6
+M  V30 6 1 6 7
+M  V30 7 1 7 8
+M  V30 8 1 8 9
+M  V30 9 1 9 10
+M  V30 10 1 10 11
+M  V30 11 1 11 12
+M  V30 12 1 12 13
+M  V30 13 1 13 14
+M  V30 14 1 14 15
+M  V30 15 1 15 16
+M  V30 16 1 16 17
+M  V30 17 1 17 18
+M  V30 18 1 18 19
+M  V30 19 1 19 20
+M  V30 20 1 20 21
+M  V30 21 1 21 22
+M  V30 22 1 22 23
+M  V30 23 1 23 24
+M  V30 24 1 24 25
+M  V30 25 1 25 26
+M  V30 26 1 26 27
+M  V30 27 1 27 28
+M  V30 28 1 28 29
+M  V30 29 1 29 30
+M  V30 30 1 30 31
+M  V30 31 1 31 32
+M  V30 32 1 32 33
+M  V30 33 1 33 34
+M  V30 34 1 34 35
+M  V30 35 1 35 36
+M  V30 36 1 36 37
+M  V30 37 1 37 38
+M  V30 38 1 38 39
+M  V30 39 1 39 40
+M  V30 40 1 40 41
+M  V30 41 1 41 42
+M  V30 42 1 42 43
+M  V30 43 1 43 44
+M  V30 44 1 44 45
+M  V30 45 1 45 46
+M  V30 46 1 46 47
+M  V30 47 1 47 48
+M  V30 48 1 48 49
+M  V30 49 1 49 50
+M  V30 50 1 50 51
+M  V30 51 1 51 52
+M  V30 52 1 52 53
+M  V30 53 1 53 54
+M  V30 54 1 54 55
+M  V30 55 1 55 56
+M  V30 56 1 56 57
+M  V30 57 1 57 58
+M  V30 58 1 58 59
+M  V30 59 1 59 60
+M  V30 60 1 60 61
+M  V30 61 1 61 62
+M  V30 62 1 62 63
+M  V30 63 1 63 64
+M  V30 64 1 64 65
+M  V30 65 1 65 66
+M  V30 66 1 66 67
+M  V30 67 1 67 68
+M  V30 68 1 68 69
+M  V30 69 1 69 70
+M  V30 70 1 70 71
+M  V30 71 1 71 72
+M  V30 72 1 72 73
+M  V30 73 1 73 74
+M  V30 74 1 74 75
+M  V30 75 1 75 76
+M  V30 76 1 76 77
+M  V30 77 1 77 78
+M  V30 78 1 78 79
+M  V30 79 1 79 80
+M  V30 80 1 80 81
+M  V30 81 1 81 82
+M  V30 82 1 82 83
+M  V30 83 1 83 84
+M  V30 84 1 84 85
+M  V30 85 1 85 86
+M  V30 86 1 86 87
+M  V30 87 1 87 88
+M  V30 88 1 88 89
+M  V30 89 1 89 90
+M  V30 90 1 90 91
+M  V30 91 1 91 92
+M  V30 92 1 92 93
+M  V30 93 1 93 94
+M  V30 94 1 94 95
+M  V30 95 1 95 96
+M  V30 96 1 96 97
+M  V30 97 1 97 98
+M  V30 98 1 98 99
+M  V30 99 1 99 100
+M  V30 100 1 100 101
+M  V30 101 1 101 102
+M  V30 102 1 102 103
+M  V30 103 1 103 104
+M  V30 104 1 104 105
+M  V30 105 1 105 106
+M  V30 106 1 106 107
+M  V30 107 1 107 108
+M  V30 108 1 108 109
+M  V30 109 1 109 110
+M  V30 110 1 110 111
+M  V30 111 1 111 112
+M  V30 112 1 112 113
+M  V30 113 1 113 114
+M  V30 114 1 114 115
+M  V30 115 1 115 116
+M  V30 116 1 116 117
+M  V30 117 1 117 118
+M  V30 118 1 118 119
+M  V30 119 1 119 120
+M  V30 120 1 120 121
+M  V30 121 1 121 122
+M  V30 122 1 122 123
+M  V30 123 1 123 124
+M  V30 124 1 124 125
+M  V30 125 1 125 126
+M  V30 126 1 126 127
+M  V30 127 1 127 128
+M  V30 128 1 128 129
+M  V30 129 1 129 130
+M  V30 130 1 130 131
+M  V30 131 1 131 132
+M  V30 132 1 132 133
+M  V30 133 1 133 134
+M  V30 134 1 134 135
+M  V30 135 1 135 136
+M  V30 136 1 136 137
+M  V30 137 1 137 138
+M  V30 138 1 138 139
+M  V30 139 1 139 140
+M  V30 140 1 140 141
+M  V30 141 1 141 142
+M  V30 142 1 142 143
+M  V30 143 1 143 144
+M  V30 144 1 144 145
+M  V30 145 1 145 146
+M  V30 146 1 146 147
+M  V30 147 1 147 148
+M  V30 148 1 148 149
+M  V30 149 1 149 150
+M  V30 150 1 150 151
+M  V30 151 1 151 152
+M  V30 152 1 152 153
+M  V30 153 1 153 154
+M  V30 154 1 154 155
+M  V30 155 1 155 156
+M  V30 156 1 156 157
+M  V30 157 1 157 158
+M  V30 158 1 158 159
+M  V30 159 1 159 160
+M  V30 160 1 160 161
+M  V30 161 1 161 162
+M  V30 162 1 162 163
+M  V30 163 1 163 164
+M  V30 164 1 164 165
+M  V30 165 1 165 166
+M  V30 166 1 166 167
+M  V30 167 1 167 168
+M  V30 168 1 168 169
+M  V30 169 1 169 170
+M  V30 170 1 170 171
+M  V30 171 1 171 172
+M  V30 172 1 172 173
+M  V30 173 1 173 174
+M  V30 174 1 174 175
+M  V30 175 1 175 176
+M  V30 176 1 176 177
+M  V30 177 1 177 178
+M  V30 178 1 178 179
+M  V30 179 1 179 180
+M  V30 180 1 180 181
+M  V30 181 1 181 182
+M  V30 182 1 182 183
+M  V30 183 1 183 184
+M  V30 184 1 184 185
+M  V30 185 1 185 186
+M  V30 186 1 186 187
+M  V30 187 1 187 188
+M  V30 188 1 188 189
+M  V30 189 1 189 190
+M  V30 190 1 190 191
+M  V30 191 1 191 192
+M  V30 192 1 192 193
+M  V30 193 1 193 194
+M  V30 194 1 194 195
+M  V30 195 1 195 196
+M  V30 196 1 196 197
+M  V30 197 1 197 198
+M  V30 198 1 198 199
+M  V30 199 1 199 200
+M  V30 200 1 200 201
+M  V30 201 1 201 202
+M  V30 202 1 202 203
+M  V30 203 1 203 204
+M  V30 204 1 204 205
+M  V30 205 1 205 206
+M  V30 206 1 206 207
+M  V30 207 1 207 208
+M  V30 208 1 208 209
+M  V30 209 1 209 210
+M  V30 210 1 210 211
+M  V30 211 1 211 212
+M  V30 212 1 212 213
+M  V30 213 1 213 214
+M  V30 214 1 214 215
+M  V30 215 1 215 216
+M  V30 216 1 216 217
+M  V30 217 1 217 218
+M  V30 218 1 218 219
+M  V30 219 1 219 220
+M  V30 220 1 220 221
+M  V30 221 1 221 222
+M  V30 222 1 222 223
+M  V30 223 1 223 224
+M  V30 224 1 224 225
+M  V30 225 1 225 226
+M  V30 226 1 226 227
+M  V30 227 1 227 228
+M  V30 228 1 228 229
+M  V30 229 1 229 230
+M  V30 230 1 230 231
+M  V30 231 1 231 232
+M  V30 232 1 232 233
+M  V30 233 1 233 234
+M  V30 234 1 234 235
+M  V30 235 1 235 236
+M  V30 236 1 236 237
+M  V30 237 1 237 238
+M  V30 238 1 238 239
+M  V30 239 1 239 240
+M  V30 240 1 240 241
+M  V30 241 1 241 242
+M  V30 242 1 242 243
+M  V30 243 1 243 244
+M  V30 244 1 244 245
+M  V30 245 1 245 246
+M  V30 246 1 246 247
+M  V30 247 1 247 248
+M  V30 248 1 248 249
+M  V30 249 1 249 250
+M  V30 250 1 250 251
+M  V30 251 1 251 252
+M  V30 252 1 252 253
+M  V30 253 1 253 254
+M  V30 254 1 254 255
+M  V30 255 1 255 256
+M  V30 256 1 256 257
+M  V30 257 1 257 258
+M  V30 258 1 258 259
+M  V30 259 1 259 260
+M  V30 260 1 260 261
+M  V30 261 1 261 262
+M  V30 262 1 262 263
+M  V30 263 1 263 264
+M  V30 264 1 264 265
+M  V30 265 1 265 266
+M  V30 266 1 266 267
+M  V30 267 1 267 268
+M  V30 268 1 268 269
+M  V30 269 1 269 270
+M  V30 270 1 270 271
+M  V30 271 1 271 272
+M  V30 272 1 272 273
+M  V30 273 1 273 274
+M  V30 274 1 274 275
+M  V30 275 1 275 276
+M  V30 276 1 276 277
+M  V30 277 1 277 278
+M  V30 278 1 278 279
+M  V30 279 1 279 280
+M  V30 280 1 280 281
+M  V30 281 1 281 282
+M  V30 282 1 282 283
+M  V30 283 1 283 284
+M  V30 284 1 284 285
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+M  V30 891 1 888 889
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+M  V30 899 1 896 897
+M  V30 900 1 897 898
+M  V30 901 1 898 899
+M  V30 902 1 899 900
+M  V30 903 1 774 709
+M  V30 904 1 880 820
+M  V30 905 1 900 674
+M  V30 906 1 229 680
+M  V30 907 1 683 232
+M  V30 908 1 910 612
+M  V30 909 1 901 902
+M  V30 910 1 902 903
+M  V30 911 1 903 904
+M  V30 912 1 904 905
+M  V30 913 1 905 906
+M  V30 914 1 906 907
+M  V30 915 1 907 908
+M  V30 916 1 908 909
+M  V30 917 1 909 910
+M  V30 918 1 654 917
+M  V30 919 1 920 901
+M  V30 920 1 911 912
+M  V30 921 1 912 913
+M  V30 922 1 913 914
+M  V30 923 1 914 915
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+M  V30 925 1 916 917
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+M  V30 927 1 918 919
+M  V30 928 1 919 920
+M  V30 929 1 686 921
+M  V30 930 1 921 922
+M  V30 END BOND
+M  V30 END CTAB
+M  V30 BEGIN TEMPLATE
+M  V30 TEMPLATE 1 AA/Glu/E/ NATREPLACE=AA/E
+M  V30 BEGIN CTAB
+M  V30 COUNTS 12 11 4 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 0.3442 -1.4777 0.0 0 CFG=1
+M  V30 2 C 1.6244 -2.2154 0.0 0
+M  V30 3 O 1.6261 -3.3968 0.0 0
+M  V30 4 O 2.6469 -1.6234 0.0 0
+M  V30 5 N -0.9361 -2.2154 0.0 0
+M  V30 6 H -1.9591 -1.6245 0.0 0
+M  V30 7 C 0.3419 -0.0001 0.0 0
+M  V30 8 C -0.9383 0.7375 0.0 0
+M  V30 9 C -0.9406 2.2151 0.0 0
+M  V30 10 O -1.9642 2.8049 0.0 0
+M  V30 11 O 0.0819 2.8071 0.0 0
+M  V30 12 H 0.0729 3.9885 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 2 1
+M  V30 2 2 2 3
+M  V30 3 1 2 4
+M  V30 4 1 1 5
+M  V30 5 1 5 6
+M  V30 6 1 1 7 CFG=1
+M  V30 7 1 7 8
+M  V30 8 1 8 9
+M  V30 9 2 9 10
+M  V30 10 1 9 11
+M  V30 11 1 11 12
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 1)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 6) XBONDS=(1 5) BRKXYZ=(9 0.511500 -0.295450 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 4) XBONDS=(1 3) BRKXYZ=(9 -0.511250 -0.296000 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(1 12) XBONDS=(1 11) BRKXYZ=(9 0.004500 -0.590700 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
+M  V30 S=LGRP
+M  V30 4 SUP 4 ATOMS=(9 1 2 3 5 7 8 9 10 11) XBONDS=(3 3 5 11) BRKXYZ=(9 0.51-
+M  V30 1250 0.296000 0.000000 -0.511500 0.295450 0.000000 0.000000 0.000000 0-
+M  V30 .000000) BRKXYZ=(9 -0.004500 0.590700 0.000000 0.000000 0.000000 0.000-
+M  V30 000 0.000000 0.000000 0.000000) LABEL=E CLASS=AA SAP=(3 5 6 Al) SAP=(3-
+M  V30  2 4 Br) SAP=(3 11 12 Cx) NATREPLACE=AA/E
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 2 AA/Val/V/ NATREPLACE=AA/V
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 8 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.1543 -0.9675 0.0 0
+M  V30 2 C -0.1446 -0.2156 0.0 0 CFG=2
+M  V30 3 C -1.1823 1.8865 0.0 0
+M  V30 4 C -0.1438 1.2853 0.0 0
+M  V30 5 C 0.896 1.8843 0.0 0
+M  V30 6 O 1.1536 -2.1676 0.0 0
+M  V30 7 N -1.4435 -0.9675 0.0 0
+M  V30 8 O 2.1941 -0.3685 0.0 0
+M  V30 9 H -2.4838 -0.3695 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 6 1
+M  V30 2 1 1 2
+M  V30 3 1 1 8
+M  V30 4 1 2 7
+M  V30 5 1 2 4 CFG=1
+M  V30 6 1 4 3
+M  V30 7 1 4 5
+M  V30 8 1 7 9
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 2)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 9) XBONDS=(1 8) BRKXYZ=(9 0.520150 -0.299000 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 8) XBONDS=(1 3) BRKXYZ=(9 -0.519900 -0.299500 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(7 1 2 3 4 5 6 7) XBONDS=(2 3 8) BRKXYZ=(9 0.519900 0.29-
+M  V30 9500 0.000000 -0.520150 0.299000 0.000000 0.000000 0.000000 0.000000) -
+M  V30 LABEL=V CLASS=AA SAP=(3 7 9 Al) SAP=(3 1 8 Br) NATREPLACE=AA/V
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 3 AA/Gln/Q/ NATREPLACE=AA/Q
+M  V30 BEGIN CTAB
+M  V30 COUNTS 12 11 4 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.6237 -2.2154 0.0 0
+M  V30 2 O 1.6254 -3.3969 0.0 0
+M  V30 3 C 0.3435 -1.4777 0.0 0 CFG=1
+M  V30 4 N -0.9368 -2.2154 0.0 0
+M  V30 5 H -1.9598 -1.6245 0.0 0
+M  V30 6 C 0.3413 -0.0001 0.0 0
+M  V30 7 C -0.9389 0.7376 0.0 0
+M  V30 8 C -0.9411 2.2152 0.0 0
+M  V30 9 N 0.0813 2.8071 0.0 0
+M  V30 10 O -1.9648 2.805 0.0 0
+M  V30 11 O 2.6462 -1.6235 0.0 0
+M  V30 12 H 0.0799 3.9885 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 2 1
+M  V30 2 1 1 3
+M  V30 3 1 3 4
+M  V30 4 1 4 5
+M  V30 5 1 3 6 CFG=1
+M  V30 6 1 6 7
+M  V30 7 1 7 8
+M  V30 8 1 8 9
+M  V30 9 2 8 10
+M  V30 10 1 1 11
+M  V30 11 1 9 12
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 3)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 5) XBONDS=(1 4) BRKXYZ=(9 0.511500 -0.295450 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 11) XBONDS=(1 10) BRKXYZ=(9 -0.511250 -0.295950 0.000-
+M  V30 000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CL-
+M  V30 ASS=LGRP
+M  V30 3 SUP 3 ATOMS=(1 12) XBONDS=(1 11) BRKXYZ=(9 0.000700 -0.590700 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
+M  V30 S=LGRP
+M  V30 4 SUP 4 ATOMS=(9 1 2 3 4 6 7 8 9 10) XBONDS=(3 10 4 11) BRKXYZ=(9 0.51-
+M  V30 1250 0.295950 0.000000 -0.511500 0.295450 0.000000 0.000000 0.000000 0-
+M  V30 .000000) BRKXYZ=(9 -0.000700 0.590700 0.000000 0.000000 0.000000 0.000-
+M  V30 000 0.000000 0.000000 0.000000) LABEL=Q CLASS=AA SAP=(3 4 5 Al) SAP=(3-
+M  V30  1 11 Br) SAP=(3 9 12 Cx) NATREPLACE=AA/Q
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 4 AA/Leu/L/ NATREPLACE=AA/L
+M  V30 BEGIN CTAB
+M  V30 COUNTS 10 9 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 0.3626 0.9903 0.0 0
+M  V30 2 C -0.9395 2.9396 0.0 0
+M  V30 3 C -0.9377 1.7396 0.0 0
+M  V30 4 C -1.9763 1.1383 0.0 0
+M  V30 5 C 0.3649 -0.5105 0.0 0 CFG=1
+M  V30 6 C 1.6653 -1.2598 0.0 0
+M  V30 7 O 1.6671 -2.4598 0.0 0
+M  V30 8 N -0.9355 -1.2598 0.0 0
+M  V30 9 O 2.7038 -0.6585 0.0 0
+M  V30 10 H -1.9746 -0.6596 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 3 1
+M  V30 2 1 5 1 CFG=1
+M  V30 3 1 3 2
+M  V30 4 1 3 4
+M  V30 5 1 5 8
+M  V30 6 1 5 6
+M  V30 7 2 6 7
+M  V30 8 1 6 9
+M  V30 9 1 8 10
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 5)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 10) XBONDS=(1 9) BRKXYZ=(9 0.519550 -0.300100 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS-
+M  V30 =LGRP
+M  V30 2 SUP 2 ATOMS=(1 9) XBONDS=(1 8) BRKXYZ=(9 -0.519250 -0.300650 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(8 1 2 3 4 5 6 7 8) XBONDS=(2 8 9) BRKXYZ=(9 0.519250 0.-
+M  V30 300650 0.000000 -0.519550 0.300100 0.000000 0.000000 0.000000 0.000000-
+M  V30 ) LABEL=L CLASS=AA SAP=(3 8 10 Al) SAP=(3 6 9 Br) NATREPLACE=AA/L
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 5 AA/Ser/S/ NATREPLACE=AA/S
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 8 4 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.3671 -1.0829 0.0 0
+M  V30 2 O 1.3689 -2.2643 0.0 0
+M  V30 3 C 0.0869 -0.3452 0.0 0 CFG=1
+M  V30 4 N -1.1934 -1.0829 0.0 0
+M  V30 5 H -2.2165 -0.492 0.0 0
+M  V30 6 C 0.0847 1.1324 0.0 0
+M  V30 7 O -0.9391 1.7222 0.0 0
+M  V30 8 O 2.3896 -0.4909 0.0 0
+M  V30 9 H -0.9481 2.9036 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 2 1
+M  V30 2 1 1 3
+M  V30 3 1 3 4
+M  V30 4 1 4 5
+M  V30 5 1 3 6 CFG=1
+M  V30 6 1 6 7
+M  V30 7 1 1 8
+M  V30 8 1 7 9
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 3)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 5) XBONDS=(1 4) BRKXYZ=(9 0.511550 -0.295450 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 8) XBONDS=(1 7) BRKXYZ=(9 -0.511250 -0.296000 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(1 9) XBONDS=(1 8) BRKXYZ=(9 0.004500 -0.590700 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 4 SUP 4 ATOMS=(6 1 2 3 4 6 7) XBONDS=(3 7 4 8) BRKXYZ=(9 0.511250 0.29-
+M  V30 6000 0.000000 -0.511550 0.295450 0.000000 0.000000 0.000000 0.000000) -
+M  V30 BRKXYZ=(9 -0.004500 0.590700 0.000000 0.000000 0.000000 0.000000 0.000-
+M  V30 000 0.000000 0.000000) LABEL=S CLASS=AA SAP=(3 4 5 Al) SAP=(3 1 8 Br) -
+M  V30 SAP=(3 7 9 Cx) NATREPLACE=AA/S
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 6 AA/Gly/G/ NATREPLACE=AA/G
+M  V30 BEGIN CTAB
+M  V30 COUNTS 6 5 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C -0.3363 0.5346 0.0 0
+M  V30 2 C 0.9929 -0.1107 0.0 0
+M  V30 3 O 1.0782 -1.289 0.0 0
+M  V30 4 O 1.9709 0.552 0.0 0
+M  V30 5 N -1.326 -0.1107 0.0 0
+M  V30 6 H -2.3797 0.4238 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 2 2 3
+M  V30 3 1 2 4
+M  V30 4 1 1 5
+M  V30 5 1 5 6
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 6) XBONDS=(1 5) BRKXYZ=(9 0.526850 -0.267250 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 4) XBONDS=(1 3) BRKXYZ=(9 -0.489000 -0.331350 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(4 1 2 3 5) XBONDS=(2 3 5) BRKXYZ=(9 0.489000 0.331350 0-
+M  V30 .000000 -0.526850 0.267250 0.000000 0.000000 0.000000 0.000000) LABEL=-
+M  V30 G CLASS=AA SAP=(3 5 6 Al) SAP=(3 2 4 Br) NATREPLACE=AA/G
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 7 AA/Pro/P/ NATREPLACE=AA/P
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 9 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 0.0018 1.6555 0.0 0
+M  V30 2 C -1.4799 1.889 0.0 0
+M  V30 3 C -2.1599 0.5519 0.0 0
+M  V30 4 N -1.0984 -0.5079 0.0 0
+M  V30 5 C 0.2376 0.1741 0.0 0 CFG=2
+M  V30 6 C 1.5717 -0.5079 0.0 0
+M  V30 7 O 1.6336 -1.7063 0.0 0
+M  V30 8 O 2.5787 0.1448 0.0 0
+M  V30 9 H -1.2852 -1.6933 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 1 5 1 CFG=1
+M  V30 3 1 2 3
+M  V30 4 1 3 4
+M  V30 5 1 4 5
+M  V30 6 1 5 6
+M  V30 7 2 6 7
+M  V30 8 1 6 8
+M  V30 9 1 4 9
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 5)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 9) XBONDS=(1 9) BRKXYZ=(9 0.093400 0.592700 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=L-
+M  V30 GRP
+M  V30 2 SUP 2 ATOMS=(1 8) XBONDS=(1 8) BRKXYZ=(9 -0.503500 -0.326350 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(7 1 2 3 4 5 6 7) XBONDS=(2 9 8) BRKXYZ=(9 -0.093400 -0.-
+M  V30 592700 0.000000 0.503500 0.326350 0.000000 0.000000 0.000000 0.000000)-
+M  V30  LABEL=P CLASS=AA SAP=(3 4 9 Al) SAP=(3 6 8 Br) NATREPLACE=AA/P
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 8 AA/Arg/R/ NATREPLACE=AA/R
+M  V30 BEGIN CTAB
+M  V30 COUNTS 14 13 4 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.7718 -2.5891 0.0 0
+M  V30 2 O 1.7732 -3.5337 0.0 0
+M  V30 3 C 0.7483 -1.9994 0.0 0 CFG=1
+M  V30 4 N -0.2752 -2.5891 0.0 0
+M  V30 5 H -1.0932 -2.1168 0.0 0
+M  V30 6 C 0.7464 -0.8182 0.0 0
+M  V30 7 C -0.2771 -0.2284 0.0 0
+M  V30 8 C -0.2789 0.9529 0.0 0
+M  V30 9 N -1.3024 1.5426 0.0 0
+M  V30 10 C -1.3042 2.7238 0.0 0
+M  V30 11 N -0.4868 3.1971 0.0 0
+M  V30 12 N -2.1227 3.1955 0.0 0
+M  V30 13 O 2.5892 -2.1159 0.0 0
+M  V30 14 H -0.4883 4.3786 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 2 1
+M  V30 2 1 1 3
+M  V30 3 1 3 4
+M  V30 4 1 4 5
+M  V30 5 1 3 6 CFG=1
+M  V30 6 1 6 7
+M  V30 7 1 7 8
+M  V30 8 1 8 9
+M  V30 9 1 9 10
+M  V30 10 1 10 11
+M  V30 11 2 10 12
+M  V30 12 1 1 13
+M  V30 13 1 11 14
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 3)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 5) XBONDS=(1 4) BRKXYZ=(9 0.409000 -0.236150 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 13) XBONDS=(1 12) BRKXYZ=(9 -0.408700 -0.236600 0.000-
+M  V30 000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CL-
+M  V30 ASS=LGRP
+M  V30 3 SUP 3 ATOMS=(1 14) XBONDS=(1 13) BRKXYZ=(9 0.000750 -0.590750 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
+M  V30 S=LGRP
+M  V30 4 SUP 4 ATOMS=(11 1 2 3 4 6 7 8 9 10 11 12) XBONDS=(3 12 4 13) BRKXYZ=-
+M  V30 (9 0.408700 0.236600 0.000000 -0.409000 0.236150 0.000000 0.000000 0.0-
+M  V30 00000 0.000000) BRKXYZ=(9 -0.000750 0.590750 0.000000 0.000000 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000) LABEL=R CLASS=AA SAP=(3 4 5 Al)-
+M  V30  SAP=(3 1 13 Br) SAP=(3 11 14 Cx) NATREPLACE=AA/R
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 9 AA/Cys/C/ NATREPLACE=AA/C
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 8 4 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.4457 -1.1333 0.0 0
+M  V30 2 C 0.1453 -0.384 0.0 0 CFG=2
+M  V30 3 C 0.143 1.1168 0.0 0
+M  V30 4 S -1.1573 1.8661 0.0 0
+M  V30 5 N -1.1551 -1.1333 0.0 0
+M  V30 6 O 1.4475 -2.3333 0.0 0
+M  V30 7 O 2.4842 -0.532 0.0 0
+M  V30 8 H -2.1942 -0.5331 0.0 0
+M  V30 9 H -1.1591 3.0661 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 6 1
+M  V30 2 1 1 2
+M  V30 3 1 1 7
+M  V30 4 1 2 5
+M  V30 5 1 2 3 CFG=1
+M  V30 6 1 3 4
+M  V30 7 1 5 8
+M  V30 8 1 4 9
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 2)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 8) XBONDS=(1 7) BRKXYZ=(9 0.519550 -0.300100 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 7) XBONDS=(1 3) BRKXYZ=(9 -0.519250 -0.300650 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(1 9) XBONDS=(1 8) BRKXYZ=(9 0.000900 -0.600000 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 4 SUP 4 ATOMS=(6 1 2 3 4 5 6) XBONDS=(3 3 8 7) BRKXYZ=(9 0.519250 0.30-
+M  V30 0650 0.000000 -0.000900 0.600000 0.000000 0.000000 0.000000 0.000000) -
+M  V30 BRKXYZ=(9 -0.519550 0.300100 0.000000 0.000000 0.000000 0.000000 0.000-
+M  V30 000 0.000000 0.000000) LABEL=C CLASS=AA SAP=(3 5 8 Al) SAP=(3 1 7 Br) -
+M  V30 SAP=(3 4 9 Cx) NATREPLACE=AA/C
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 10 AA/Ala/A/ NATREPLACE=AA/A
+M  V30 BEGIN CTAB
+M  V30 COUNTS 7 6 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 N -1.2549 -0.392 0.0 0
+M  V30 2 C -0.272 0.2633 0.0 0 CFG=1
+M  V30 3 C -0.3103 1.7393 0.0 0
+M  V30 4 C 1.0523 -0.392 0.0 0
+M  V30 5 O 1.0829 -1.5722 0.0 0
+M  V30 6 O 2.0353 0.2633 0.0 0
+M  V30 7 H -2.3334 0.0905 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 2 1
+M  V30 2 1 2 3 CFG=1
+M  V30 3 1 2 4
+M  V30 4 2 4 5
+M  V30 5 1 4 6
+M  V30 6 1 1 7
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 2)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 7) XBONDS=(1 6) BRKXYZ=(9 0.539250 -0.241250 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 6) XBONDS=(1 5) BRKXYZ=(9 -0.491500 -0.327650 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(5 1 2 3 4 5) XBONDS=(2 6 5) BRKXYZ=(9 -0.539250 0.24125-
+M  V30 0 0.000000 0.491500 0.327650 0.000000 0.000000 0.000000 0.000000) LABE-
+M  V30 L=A CLASS=AA SAP=(3 1 7 Al) SAP=(3 4 6 Br) NATREPLACE=AA/A
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 11 AA/Phe/F/ NATREPLACE=AA/F
+M  V30 BEGIN CTAB
+M  V30 COUNTS 13 13 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C -0.2052 2.5398 0.0 0
+M  V30 2 C -1.5064 3.286 0.0 0
+M  V30 3 C -2.8032 2.5322 0.0 0
+M  V30 4 C -2.7988 1.0322 0.0 0
+M  V30 5 C -1.4976 0.2861 0.0 0
+M  V30 6 C -0.2008 1.0398 0.0 0
+M  V30 7 C 1.0995 0.2905 0.0 0
+M  V30 8 C 1.1018 -1.2103 0.0 0 CFG=2
+M  V30 9 N -0.1986 -1.9596 0.0 0
+M  V30 10 C 2.4022 -1.9596 0.0 0
+M  V30 11 O 2.404 -3.1596 0.0 0
+M  V30 12 O 3.4407 -1.3583 0.0 0
+M  V30 13 H -1.2376 -1.3593 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 2 1 6
+M  V30 3 2 2 3
+M  V30 4 1 3 4
+M  V30 5 2 4 5
+M  V30 6 1 5 6
+M  V30 7 1 6 7
+M  V30 8 1 8 7 CFG=1
+M  V30 9 1 8 9
+M  V30 10 1 8 10
+M  V30 11 2 10 11
+M  V30 12 1 10 12
+M  V30 13 1 9 13
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 8)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 13) XBONDS=(1 13) BRKXYZ=(9 0.519500 -0.300150 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
+M  V30 S=LGRP
+M  V30 2 SUP 2 ATOMS=(1 12) XBONDS=(1 12) BRKXYZ=(9 -0.519250 -0.300650 0.000-
+M  V30 000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CL-
+M  V30 ASS=LGRP
+M  V30 3 SUP 3 ATOMS=(11 1 2 3 4 5 6 7 8 9 10 11) XBONDS=(2 13 12) BRKXYZ=(9 -
+M  V30 -0.519500 0.300150 0.000000 0.519250 0.300650 0.000000 0.000000 0.0000-
+M  V30 00 0.000000) LABEL=F CLASS=AA SAP=(3 9 13 Al) SAP=(3 10 12 Br) NATREPL-
+M  V30 ACE=AA/F
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 12 AA/Asn/N/ NATREPLACE=AA/N
+M  V30 BEGIN CTAB
+M  V30 COUNTS 11 10 4 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.8929 -1.4175 0.0 0
+M  V30 2 O 1.8947 -2.5989 0.0 0
+M  V30 3 C 0.6127 -0.6799 0.0 0 CFG=1
+M  V30 4 N -0.6676 -1.4175 0.0 0
+M  V30 5 H -1.6907 -0.8266 0.0 0
+M  V30 6 C 0.6104 0.7978 0.0 0
+M  V30 7 C -0.6698 1.5354 0.0 0
+M  V30 8 N -1.6922 0.9434 0.0 0
+M  V30 9 O -0.6716 2.7168 0.0 0
+M  V30 10 O 2.9153 -0.8255 0.0 0
+M  V30 11 H -2.5341 1.7724 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 2 1
+M  V30 2 1 1 3
+M  V30 3 1 3 4
+M  V30 4 1 4 5
+M  V30 5 1 3 6 CFG=1
+M  V30 6 1 6 7
+M  V30 7 1 7 8
+M  V30 8 2 7 9
+M  V30 9 1 1 10
+M  V30 10 1 8 11
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 3)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 5) XBONDS=(1 4) BRKXYZ=(9 0.511550 -0.295450 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 10) XBONDS=(1 9) BRKXYZ=(9 -0.511200 -0.296000 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLA-
+M  V30 SS=LGRP
+M  V30 3 SUP 3 ATOMS=(1 11) XBONDS=(1 10) BRKXYZ=(9 0.420950 -0.414500 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
+M  V30 S=LGRP
+M  V30 4 SUP 4 ATOMS=(8 1 2 3 4 6 7 8 9) XBONDS=(3 9 4 10) BRKXYZ=(9 0.511200-
+M  V30  0.296000 0.000000 -0.511550 0.295450 0.000000 0.000000 0.000000 0.000-
+M  V30 000) BRKXYZ=(9 -0.420950 0.414500 0.000000 0.000000 0.000000 0.000000 -
+M  V30 0.000000 0.000000 0.000000) LABEL=N CLASS=AA SAP=(3 4 5 Al) SAP=(3 1 1-
+M  V30 0 Br) SAP=(3 8 11 Cx) NATREPLACE=AA/N
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 13 AA/Ile/I/ NATREPLACE=AA/I
+M  V30 BEGIN CTAB
+M  V30 COUNTS 10 9 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C -1.2557 1.6681 0.0 0
+M  V30 2 C 0.0245 0.9304 0.0 0 CFG=1
+M  V30 3 C 0.0268 -0.5472 0.0 0 CFG=2
+M  V30 4 N -1.2536 -1.2849 0.0 0
+M  V30 5 H -2.2766 -0.694 0.0 0
+M  V30 6 C 1.3069 -1.2849 0.0 0
+M  V30 7 O 1.3086 -2.4664 0.0 0
+M  V30 8 O 2.3294 -0.693 0.0 0
+M  V30 9 C 1.047 1.5223 0.0 0
+M  V30 10 C -1.2574 2.8495 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 1 3 2 CFG=1
+M  V30 3 1 3 4
+M  V30 4 1 4 5
+M  V30 5 1 3 6
+M  V30 6 2 6 7
+M  V30 7 1 6 8
+M  V30 8 1 2 9 CFG=3
+M  V30 9 1 1 10
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(2 2 3)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 5) XBONDS=(1 4) BRKXYZ=(9 0.511500 -0.295450 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 8) XBONDS=(1 7) BRKXYZ=(9 -0.511250 -0.295950 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(8 1 2 3 4 6 7 9 10) XBONDS=(2 4 7) BRKXYZ=(9 -0.511500 -
+M  V30 0.295450 0.000000 0.511250 0.295950 0.000000 0.000000 0.000000 0.00000-
+M  V30 0) LABEL=I CLASS=AA SAP=(3 4 5 Al) SAP=(3 6 8 Br) NATREPLACE=AA/I
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 14 AA/Lys/K/ NATREPLACE=AA/K
+M  V30 BEGIN CTAB
+M  V30 COUNTS 12 11 4 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 2.1478 -2.4874 0.0 0
+M  V30 2 C 0.8474 -1.7382 0.0 0 CFG=2
+M  V30 3 C 0.8451 -0.2373 0.0 0
+M  V30 4 C -0.4553 0.5119 0.0 0
+M  V30 5 C -0.4575 2.0128 0.0 0
+M  V30 6 C -1.7579 2.7619 0.0 0
+M  V30 7 N -1.7602 4.2628 0.0 0
+M  V30 8 N -0.453 -2.4874 0.0 0
+M  V30 9 O 2.1495 -3.6875 0.0 0
+M  V30 10 O 3.1863 -1.8862 0.0 0
+M  V30 11 H -1.4921 -1.8873 0.0 0
+M  V30 12 H -2.8 4.8619 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 9 1
+M  V30 2 1 1 2
+M  V30 3 1 1 10
+M  V30 4 1 2 8
+M  V30 5 1 2 3 CFG=1
+M  V30 6 1 3 4
+M  V30 7 1 4 5
+M  V30 8 1 5 6
+M  V30 9 1 6 7
+M  V30 10 1 8 11
+M  V30 11 1 7 12
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 2)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 11) XBONDS=(1 10) BRKXYZ=(9 0.519550 -0.300050 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
+M  V30 S=LGRP
+M  V30 2 SUP 2 ATOMS=(1 10) XBONDS=(1 3) BRKXYZ=(9 -0.519250 -0.300600 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLA-
+M  V30 SS=LGRP
+M  V30 3 SUP 3 ATOMS=(1 12) XBONDS=(1 11) BRKXYZ=(9 0.519900 -0.299550 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
+M  V30 S=LGRP
+M  V30 4 SUP 4 ATOMS=(9 1 2 3 4 5 6 7 8 9) XBONDS=(3 3 11 10) BRKXYZ=(9 0.519-
+M  V30 250 0.300600 0.000000 -0.519900 0.299550 0.000000 0.000000 0.000000 0.-
+M  V30 000000) BRKXYZ=(9 -0.519550 0.300050 0.000000 0.000000 0.000000 0.0000-
+M  V30 00 0.000000 0.000000 0.000000) LABEL=K CLASS=AA SAP=(3 8 11 Al) SAP=(3-
+M  V30  1 10 Br) SAP=(3 7 12 Cx) NATREPLACE=AA/K
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 15 AA/Asp/D/ NATREPLACE=AA/D
+M  V30 BEGIN CTAB
+M  V30 COUNTS 11 10 4 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.631 -1.5578 0.0 0
+M  V30 2 O 1.6327 -2.7392 0.0 0
+M  V30 3 C 0.3507 -0.8201 0.0 0 CFG=1
+M  V30 4 N -0.9295 -1.5578 0.0 0
+M  V30 5 H -1.9525 -0.9669 0.0 0
+M  V30 6 C 0.3485 0.6575 0.0 0
+M  V30 7 C -0.9317 1.3952 0.0 0
+M  V30 8 O -1.9542 0.8032 0.0 0
+M  V30 9 O -0.9335 2.5766 0.0 0
+M  V30 10 O 2.6534 -0.9658 0.0 0
+M  V30 11 H 0.0851 3.1751 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 2 1
+M  V30 2 1 1 3
+M  V30 3 1 3 4
+M  V30 4 1 4 5
+M  V30 5 1 3 6 CFG=1
+M  V30 6 1 6 7
+M  V30 7 2 7 8
+M  V30 8 1 7 9
+M  V30 9 1 1 10
+M  V30 10 1 9 11
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 3)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 5) XBONDS=(1 4) BRKXYZ=(9 0.511500 -0.295450 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 10) XBONDS=(1 9) BRKXYZ=(9 -0.511200 -0.296000 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLA-
+M  V30 SS=LGRP
+M  V30 3 SUP 3 ATOMS=(1 11) XBONDS=(1 10) BRKXYZ=(9 -0.509300 -0.299250 0.000-
+M  V30 000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLA-
+M  V30 SS=LGRP
+M  V30 4 SUP 4 ATOMS=(8 1 2 3 4 6 7 8 9) XBONDS=(3 9 4 10) BRKXYZ=(9 0.511200-
+M  V30  0.296000 0.000000 -0.511500 0.295450 0.000000 0.000000 0.000000 0.000-
+M  V30 000) BRKXYZ=(9 0.509300 0.299250 0.000000 0.000000 0.000000 0.000000 0-
+M  V30 .000000 0.000000 0.000000) LABEL=D CLASS=AA SAP=(3 4 5 Al) SAP=(3 1 10-
+M  V30  Br) SAP=(3 9 11 Cx) NATREPLACE=AA/D
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 16 AA/Thr/T/ NATREPLACE=AA/T
+M  V30 BEGIN CTAB
+M  V30 COUNTS 10 9 4 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.0488 -1.2558 0.0 0
+M  V30 2 O 1.0481 -2.4369 0.0 0
+M  V30 3 C -0.2297 -0.5156 0.0 0 CFG=1
+M  V30 4 N -1.5081 -1.2558 0.0 0
+M  V30 5 H -2.5321 -0.6672 0.0 0
+M  V30 6 C -0.2289 0.9614 0.0 0 CFG=2
+M  V30 7 O 0.7944 1.551 0.0 0
+M  V30 8 C -1.251 1.5531 0.0 0
+M  V30 9 O 2.072 -0.6661 0.0 0
+M  V30 10 H 0.7866 2.7318 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 2 1
+M  V30 2 1 3 1
+M  V30 3 1 3 4
+M  V30 4 1 4 5
+M  V30 5 1 3 6 CFG=1
+M  V30 6 1 6 7 CFG=1
+M  V30 7 1 6 8
+M  V30 8 1 1 9
+M  V30 9 1 7 10
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(2 3 6)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 5) XBONDS=(1 4) BRKXYZ=(9 0.512000 -0.294300 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 9) XBONDS=(1 8) BRKXYZ=(9 -0.511600 -0.294850 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(1 10) XBONDS=(1 9) BRKXYZ=(9 0.003900 -0.590400 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS-
+M  V30 =LGRP
+M  V30 4 SUP 4 ATOMS=(7 1 2 3 4 6 7 8) XBONDS=(3 8 4 9) BRKXYZ=(9 0.511600 0.-
+M  V30 294850 0.000000 -0.512000 0.294300 0.000000 0.000000 0.000000 0.000000-
+M  V30 ) BRKXYZ=(9 -0.003900 0.590400 0.000000 0.000000 0.000000 0.000000 0.0-
+M  V30 00000 0.000000 0.000000) LABEL=T CLASS=AA SAP=(3 4 5 Al) SAP=(3 1 9 Br-
+M  V30 ) SAP=(3 7 10 Cx) NATREPLACE=AA/T
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 17 AA/Tyr/Y/ NATREPLACE=AA/Y
+M  V30 BEGIN CTAB
+M  V30 COUNTS 15 15 4 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 2.2957 -1.9502 0.0 0
+M  V30 2 O 2.2972 -2.8951 0.0 0
+M  V30 3 C 1.2718 -1.3602 0.0 0 CFG=1
+M  V30 4 N 0.2479 -1.9502 0.0 0
+M  V30 5 H -0.5703 -1.4776 0.0 0
+M  V30 6 C 1.2701 -0.1785 0.0 0
+M  V30 7 C 0.2461 0.4114 0.0 0
+M  V30 8 C 0.2426 1.5925 0.0 0
+M  V30 9 C -0.782 2.1801 0.0 0
+M  V30 10 C -1.8031 1.5866 0.0 0
+M  V30 11 C -1.7996 0.4055 0.0 0
+M  V30 12 C -0.7751 -0.182 0.0 0
+M  V30 13 O -2.6228 2.0566 0.0 0
+M  V30 14 O 3.1134 -1.4768 0.0 0
+M  V30 15 H -2.6319 3.2381 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 2 1
+M  V30 2 1 1 3
+M  V30 3 1 3 4
+M  V30 4 1 4 5
+M  V30 5 1 3 6 CFG=1
+M  V30 6 1 6 7
+M  V30 7 1 8 7
+M  V30 8 2 9 8
+M  V30 9 1 10 9
+M  V30 10 2 11 10
+M  V30 11 2 12 7
+M  V30 12 1 12 11
+M  V30 13 1 10 13
+M  V30 14 1 1 14
+M  V30 15 1 13 15
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 3)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 5) XBONDS=(1 4) BRKXYZ=(9 0.409100 -0.236300 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 14) XBONDS=(1 14) BRKXYZ=(9 -0.408850 -0.236700 0.000-
+M  V30 000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CL-
+M  V30 ASS=LGRP
+M  V30 3 SUP 3 ATOMS=(1 15) XBONDS=(1 15) BRKXYZ=(9 0.004550 -0.590750 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
+M  V30 S=LGRP
+M  V30 4 SUP 4 ATOMS=(12 1 2 3 4 6 7 8 9 10 11 12 13) XBONDS=(3 14 4 15) BRKX-
+M  V30 YZ=(9 0.408850 0.236700 0.000000 -0.409100 0.236300 0.000000 0.000000 -
+M  V30 0.000000 0.000000) BRKXYZ=(9 -0.004550 0.590750 0.000000 0.000000 0.00-
+M  V30 0000 0.000000 0.000000 0.000000 0.000000) LABEL=Y CLASS=AA SAP=(3 4 5 -
+M  V30 Al) SAP=(3 1 14 Br) SAP=(3 13 15 Cx) NATREPLACE=AA/Y
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 18 AA/His/H/ NATREPLACE=AA/H
+M  V30 BEGIN CTAB
+M  V30 COUNTS 13 13 4 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.8978 -1.6508 0.0 0
+M  V30 2 O 1.8993 -2.5957 0.0 0
+M  V30 3 C 0.8739 -1.0609 0.0 0 CFG=1
+M  V30 4 N -0.15 -1.6508 0.0 0
+M  V30 5 H -0.9683 -1.1782 0.0 0
+M  V30 6 C 0.872 0.1209 0.0 0
+M  V30 7 C -0.1501 0.7098 0.0 0
+M  V30 8 C -0.2771 1.8841 0.0 0
+M  V30 9 N -1.433 2.1263 0.0 0
+M  V30 10 C -2.0205 1.1016 0.0 0
+M  V30 11 N -1.2277 0.2263 0.0 0
+M  V30 12 O 2.7155 -1.1774 0.0 0
+M  V30 13 H -2.0317 3.1449 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 2 1
+M  V30 2 1 1 3
+M  V30 3 1 3 4
+M  V30 4 1 4 5
+M  V30 5 1 3 6 CFG=1
+M  V30 6 1 6 7
+M  V30 7 2 8 7
+M  V30 8 1 9 8
+M  V30 9 1 10 9
+M  V30 10 1 11 7
+M  V30 11 2 11 10
+M  V30 12 1 1 12
+M  V30 13 1 9 13
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 3)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 5) XBONDS=(1 4) BRKXYZ=(9 0.409150 -0.236300 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 12) XBONDS=(1 12) BRKXYZ=(9 -0.408850 -0.236700 0.000-
+M  V30 000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CL-
+M  V30 ASS=LGRP
+M  V30 3 SUP 3 ATOMS=(1 13) XBONDS=(1 13) BRKXYZ=(9 0.299350 -0.509300 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
+M  V30 S=LGRP
+M  V30 4 SUP 4 ATOMS=(10 1 2 3 4 6 7 8 9 10 11) XBONDS=(3 12 4 13) BRKXYZ=(9 -
+M  V30 0.408850 0.236700 0.000000 -0.409150 0.236300 0.000000 0.000000 0.0000-
+M  V30 00 0.000000) BRKXYZ=(9 -0.299350 0.509300 0.000000 0.000000 0.000000 0-
+M  V30 .000000 0.000000 0.000000 0.000000) LABEL=H CLASS=AA SAP=(3 4 5 Al) SA-
+M  V30 P=(3 1 12 Br) SAP=(3 9 13 Cx) NATREPLACE=AA/H
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 19 AA/Trp/W/ NATREPLACE=AA/W
+M  V30 BEGIN CTAB
+M  V30 COUNTS 17 18 4 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 2.0938 -2.3551 0.0 0
+M  V30 2 O 2.0952 -3.3 0.0 0
+M  V30 3 C 1.0698 -1.7652 0.0 0 CFG=1
+M  V30 4 N 0.0459 -2.3551 0.0 0
+M  V30 5 H -0.7723 -1.8826 0.0 0
+M  V30 6 C 1.068 -0.5835 0.0 0
+M  V30 7 C 0.0458 0.0055 0.0 0
+M  V30 8 C -1.0319 -0.4779 0.0 0
+M  V30 9 N -1.8246 0.3978 0.0 0
+M  V30 10 C -1.237 1.4216 0.0 0
+M  V30 11 C -0.081 1.1793 0.0 0
+M  V30 12 C 0.7068 2.0591 0.0 0
+M  V30 13 C 0.3387 3.1814 0.0 0
+M  V30 14 C -0.8173 3.4238 0.0 0
+M  V30 15 C -1.6051 2.5438 0.0 0
+M  V30 16 O 2.9114 -1.8818 0.0 0
+M  V30 17 H -3.0061 0.3887 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 2 1
+M  V30 2 1 1 3
+M  V30 3 1 3 4
+M  V30 4 1 4 5
+M  V30 5 1 3 6 CFG=1
+M  V30 6 1 6 7
+M  V30 7 2 8 7
+M  V30 8 1 9 8
+M  V30 9 1 10 9
+M  V30 10 1 11 7
+M  V30 11 2 11 10
+M  V30 12 1 11 12
+M  V30 13 2 12 13
+M  V30 14 1 13 14
+M  V30 15 1 15 10
+M  V30 16 2 14 15
+M  V30 17 1 1 16
+M  V30 18 1 9 17
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 3)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 5) XBONDS=(1 4) BRKXYZ=(9 0.409100 -0.236250 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 16) XBONDS=(1 17) BRKXYZ=(9 -0.408800 -0.236650 0.000-
+M  V30 000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CL-
+M  V30 ASS=LGRP
+M  V30 3 SUP 3 ATOMS=(1 17) XBONDS=(1 18) BRKXYZ=(9 0.590750 0.004550 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS-
+M  V30 =LGRP
+M  V30 4 SUP 4 ATOMS=(14 1 2 3 4 6 7 8 9 10 11 12 13 14 15) XBONDS=(3 17 4 18-
+M  V30 ) BRKXYZ=(9 0.408800 0.236650 0.000000 -0.409100 0.236250 0.000000 0.0-
+M  V30 00000 0.000000 0.000000) BRKXYZ=(9 -0.590750 -0.004550 0.000000 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=W CLASS=AA SAP=-
+M  V30 (3 4 5 Al) SAP=(3 1 16 Br) SAP=(3 9 17 Cx) NATREPLACE=AA/W
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 20 AA/Met/M/ NATREPLACE=AA/M
+M  V30 BEGIN CTAB
+M  V30 COUNTS 10 9 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.6657 -1.56 0.0 0
+M  V30 2 N -0.9351 -1.56 0.0 0
+M  V30 3 O 1.6675 -2.76 0.0 0
+M  V30 4 C 0.3653 -0.8107 0.0 0 CFG=1
+M  V30 5 C 0.363 0.6901 0.0 0
+M  V30 6 C -0.9373 1.4394 0.0 0
+M  V30 7 C -1.9794 3.5393 0.0 0
+M  V30 8 S -0.9396 2.9402 0.0 0
+M  V30 9 O 2.7042 -0.9587 0.0 0
+M  V30 10 H -1.9742 -0.9598 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 3 1
+M  V30 2 1 1 4
+M  V30 3 1 1 9
+M  V30 4 1 4 2
+M  V30 5 1 4 5 CFG=1
+M  V30 6 1 5 6
+M  V30 7 1 6 8
+M  V30 8 1 8 7
+M  V30 9 1 2 10
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 4)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 10) XBONDS=(1 9) BRKXYZ=(9 0.519550 -0.300100 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS-
+M  V30 =LGRP
+M  V30 2 SUP 2 ATOMS=(1 9) XBONDS=(1 3) BRKXYZ=(9 -0.519250 -0.300650 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(8 1 2 3 4 5 6 7 8) XBONDS=(2 3 9) BRKXYZ=(9 0.519250 0.-
+M  V30 300650 0.000000 -0.519550 0.300100 0.000000 0.000000 0.000000 0.000000-
+M  V30 ) LABEL=M CLASS=AA SAP=(3 2 10 Al) SAP=(3 1 9 Br) NATREPLACE=AA/M
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 21 AA/Ala/A/ NATREPLACE=AA/A
+M  V30 BEGIN CTAB
+M  V30 COUNTS 7 6 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 N -1.2549 -0.392 0.0 0
+M  V30 2 C -0.272 0.2633 0.0 0 CFG=1
+M  V30 3 C -0.3103 1.7393 0.0 0
+M  V30 4 C 1.0523 -0.392 0.0 0
+M  V30 5 O 1.0829 -1.5722 0.0 0
+M  V30 6 O 2.0353 0.2633 0.0 0
+M  V30 7 H -2.3334 0.0905 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 2 1
+M  V30 2 1 2 3 CFG=1
+M  V30 3 1 2 4
+M  V30 4 2 4 5
+M  V30 5 1 4 6
+M  V30 6 1 1 7
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 2)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 7) XBONDS=(1 6) BRKXYZ=(9 0.539250 -0.241250 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 6) XBONDS=(1 5) BRKXYZ=(9 -0.491500 -0.327650 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(5 1 2 3 4 5) XBONDS=(2 6 5) BRKXYZ=(9 -0.539250 0.24125-
+M  V30 0 0.000000 0.491500 0.327650 0.000000 0.000000 0.000000 0.000000) LABE-
+M  V30 L=A CLASS=AA SAP=(3 1 7 Al) SAP=(3 4 6 Br) NATREPLACE=AA/A
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 END TEMPLATE
+M  END
diff --git a/Code/GraphMol/FileParsers/test_data/macromols/Triplet.mol b/Code/GraphMol/FileParsers/test_data/macromols/Triplet.mol
new file mode 100644
index 000000000..657009901
--- /dev/null
+++ b/Code/GraphMol/FileParsers/test_data/macromols/Triplet.mol
@@ -0,0 +1,157 @@
+
+  -INDIGO-09042411402D
+
+  0  0  0  0  0  0  0  0  0  0  0 V3000
+M  V30 BEGIN CTAB
+M  V30 COUNTS 3 2 0 0 0
+M  V30 BEGIN ATOM
+M  V30 1 Cya 1.25 -1.25 0.0 0 CLASS=AA SEQID=1 ATTCHORD=(2 2 Br)
+M  V30 2 dC 2.75 -1.25 0.0 0 CLASS=AA SEQID=2 ATTCHORD=(4 1 Al 3 Br)
+M  V30 3 Phe_4I 4.25 -1.25 0.0 0 CLASS=AA SEQID=3 ATTCHORD=(2 2 Al)
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 1 2 3
+M  V30 END BOND
+M  V30 END CTAB
+M  V30 BEGIN TEMPLATE
+M  V30 TEMPLATE 1 AA/Cya/Cya/ NATREPLACE=AA/A
+M  V30 BEGIN CTAB
+M  V30 COUNTS 11 10 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 0.411785 0.589238 0.0 0
+M  V30 2 C 0.411179 -0.547431 0.0 0 CFG=1
+M  V30 3 C 1.39486 -1.11698 0.0 0
+M  V30 4 O 1.39433 -2.02583 0.0 0
+M  V30 5 O 2.18238 -0.663234 0.0 0
+M  V30 6 N -0.572576 -1.11698 0.0 0
+M  V30 7 H -1.36055 -0.663991 0.0 0
+M  V30 8 S -0.571894 1.15878 0.0 0
+M  V30 9 O -0.571364 2.06764 0.0 0
+M  V30 10 O -1.35941 0.705041 0.0 0
+M  V30 11 O -1.35873 1.61374 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 2 1 CFG=1
+M  V30 2 1 2 3
+M  V30 3 2 3 4
+M  V30 4 1 3 5
+M  V30 5 1 2 6
+M  V30 6 1 6 7
+M  V30 7 1 1 8
+M  V30 8 2 8 9
+M  V30 9 2 8 10
+M  V30 10 1 8 11
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 2)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 7) XBONDS=(1 6) BRKXYZ=(9 0.393987 -0.226493 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 5) XBONDS=(1 4) BRKXYZ=(9 -0.393760 -0.226872 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(9 1 2 3 4 6 8 9 10 11) XBONDS=(2 4 6) BRKXYZ=(9 0.39376-
+M  V30 0 0.226872 0.000000 -0.393987 0.226493 0.000000 0.000000 0.000000 0.00-
+M  V30 0000) LABEL=Cya CLASS=AA SAP=(3 6 7 Al) SAP=(3 3 5 Br) NATREPLACE=AA/A
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 2 AA/dC/dC/ NATREPLACE=AA/C
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 8 4 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.07057 -0.839232 0.0 0
+M  V30 2 C 0.107598 -0.28436 0.0 0 CFG=1
+M  V30 3 C 0.105894 0.827013 0.0 0
+M  V30 4 S -0.857004 1.38189 0.0 0
+M  V30 5 N -0.855375 -0.839232 0.0 0
+M  V30 6 O 1.0719 -1.72786 0.0 0
+M  V30 7 O 1.8396 -0.393957 0.0 0
+M  V30 8 H -1.62485 -0.394771 0.0 0
+M  V30 9 H -0.858337 2.27051 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 6 1
+M  V30 2 1 1 2
+M  V30 3 1 1 7
+M  V30 4 1 2 5
+M  V30 5 1 2 3 CFG=3
+M  V30 6 1 3 4
+M  V30 7 1 5 8
+M  V30 8 1 4 9
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 2)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 8) XBONDS=(1 7) BRKXYZ=(9 0.384737 -0.222230 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 7) XBONDS=(1 3) BRKXYZ=(9 -0.384515 -0.222637 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(1 9) XBONDS=(1 8) BRKXYZ=(9 0.000666 -0.444312 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 4 SUP 4 ATOMS=(6 1 2 3 4 5 6) XBONDS=(3 3 8 7) BRKXYZ=(9 0.384515 0.22-
+M  V30 2637 0.000000 -0.000666 0.444312 0.000000 0.000000 0.000000 0.000000) -
+M  V30 BRKXYZ=(9 -0.384737 0.222230 0.000000 0.000000 0.000000 0.000000 0.000-
+M  V30 000 0.000000 0.000000) LABEL=dC CLASS=AA SAP=(3 5 8 Al) SAP=(3 1 7 Br)-
+M  V30  SAP=(3 4 9 Cx) NATREPLACE=AA/C
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 3 AA/Phe_4I/Phe_4I/ NATREPLACE=AA/F
+M  V30 BEGIN CTAB
+M  V30 COUNTS 14 14 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 I -2.54047 -2.02915 0.0 0
+M  V30 2 C -1.67314 -1.53176 0.0 0
+M  V30 3 C -0.80874 -2.03422 0.0 0
+M  V30 4 C 0.0585908 -1.53683 0.0 0
+M  V30 5 C 0.0615237 -0.536983 0.0 0
+M  V30 6 C 0.928321 -0.0375275 0.0 0
+M  V30 7 C 0.929855 0.962849 0.0 0 CFG=2
+M  V30 8 N 0.0630568 1.4623 0.0 0
+M  V30 9 H -0.802741 0.962183 0.0 0
+M  V30 10 C 1.79665 1.4623 0.0 0
+M  V30 11 O 2.66198 0.961316 0.0 0
+M  V30 12 O 1.79819 2.46215 0.0 0
+M  V30 13 C -0.802874 -0.0345279 0.0 0
+M  V30 14 C -1.67021 -0.531917 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 2 2 3
+M  V30 3 1 3 4
+M  V30 4 2 4 5
+M  V30 5 1 5 6
+M  V30 6 1 7 6 CFG=3
+M  V30 7 1 7 8
+M  V30 8 1 8 9
+M  V30 9 1 7 10
+M  V30 10 1 10 11
+M  V30 11 2 10 12
+M  V30 12 1 5 13
+M  V30 13 2 13 14
+M  V30 14 1 2 14
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 7)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 9) XBONDS=(1 8) BRKXYZ=(9 0.432899 0.250061 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=L-
+M  V30 GRP
+M  V30 2 SUP 2 ATOMS=(1 11) XBONDS=(1 10) BRKXYZ=(9 -0.432666 0.250494 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLA-
+M  V30 SS=LGRP
+M  V30 3 SUP 3 ATOMS=(12 1 2 3 4 5 6 7 8 10 12 13 14) XBONDS=(2 8 10) BRKXYZ=-
+M  V30 (9 -0.432899 -0.250061 0.000000 0.432666 -0.250494 0.000000 0.000000 0-
+M  V30 .000000 0.000000) LABEL=Phe_4I CLASS=AA SAP=(3 8 9 Al) SAP=(3 10 11 Br-
+M  V30 ) NATREPLACE=AA/F
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 END TEMPLATE
+M  END
diff --git a/Code/GraphMol/FileParsers/test_data/macromols/badAtomName.mol b/Code/GraphMol/FileParsers/test_data/macromols/badAtomName.mol
new file mode 100644
index 000000000..845ae2f2b
--- /dev/null
+++ b/Code/GraphMol/FileParsers/test_data/macromols/badAtomName.mol
@@ -0,0 +1,267 @@
+
+  ACCLDraw11122415482D
+
+  0  0  0     0  0            999 V3000
+M  V30 BEGIN CTAB
+M  V30 COUNTS 8 7 1 0 1
+M  V30 BEGIN ATOM
+M  V30 1 Ala 1.6016 -11.5026 0 0 CLASS=AA ATTCHORD=(2 2 Br) SEQID=1 
+M  V30 2 Zzz 2.5464 -11.5026 0 0 CLASS=AA ATTCHORD=(4 3 Br 1 Al) SEQID=2 
+M  V30 3 Gly 3.4913 -11.5026 0 0 CLASS=AA ATTCHORD=(4 8 Br 2 Al) SEQID=3 
+M  V30 4 His 5.3811 -11.5026 0 0 CLASS=AA ATTCHORD=(4 8 Al 5 Br) SEQID=5 
+M  V30 5 His 6.326 -11.5026 0 0 CLASS=AA ATTCHORD=(4 4 Al 7 Br) SEQID=6 
+M  V30 6 Pro 8.2157 -11.5026 0 0 CLASS=AA ATTCHORD=(2 7 Al) SEQID=8 
+M  V30 7 Cys 7.2709 -11.5026 0 0 CLASS=AA ATTCHORD=(4 5 Al 6 Br) SEQID=7 
+M  V30 8 Cys 4.4362 -11.5026 0 0 CLASS=AA ATTCHORD=(4 3 Al 4 Br) SEQID=4 
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 2 1 
+M  V30 2 1 2 3 
+M  V30 3 1 8 3 
+M  V30 4 1 4 8 
+M  V30 5 1 5 4 
+M  V30 6 1 5 7 
+M  V30 7 1 7 6 
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 DAT 1 ATOMS=(1 1) FIELDNAME="SMMX:sequence position data" -
+M  V30 FIELDDISP="    1.6016  -11.5026    DA    ALL  1     " 
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 BEGIN TEMPLATE
+M  V30 TEMPLATE 1 AA/Ala/A/
+M  V30 BEGIN CTAB
+M  V30 COUNTS 7 6 3 0 1
+M  V30 BEGIN ATOM
+M  V30 1 O 6.6266 -2.0662 0 0 
+M  V30 2 H 5.0016 -2.0876 0 0 
+M  V30 3 N 5.1358 -2.0784 0 0 CFG=3 
+M  V30 4 C 5.7844 -1.5983 0 0 CFG=2 
+M  V30 5 C 6.4753 -2.0653 0 0 
+M  V30 6 O 6.4753 -2.8977 0 0 
+M  V30 7 C 5.7844 -0.7662 0 0 
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 3 4 
+M  V30 2 1 4 5 
+M  V30 3 2 5 6 
+M  V30 4 1 4 7 CFG=1 
+M  V30 5 1 3 2 
+M  V30 6 1 5 1 
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 1) XBONDS=(1 6) BRKXYZ=(9 7.02 -2.26 0 7.02 -1.85 0 -
+M  V30 0 0 0) CSTATE=(4 6 -0.82 -0.01 0) LABEL=OH CLASS=LGRP 
+M  V30 2 SUP 2 ATOMS=(1 2) XBONDS=(1 5) BRKXYZ=(9 4.58 -1.87 0 4.6 -2.28 0 -
+M  V30 0 0 0) CSTATE=(4 5 0.8 0.02 0) LABEL=H CLASS=LGRP 
+M  V30 3 SUP 3 ATOMS=(5 3 4 5 6 7) XBONDS=(2 5 6) BRKXYZ=(9 3.95 -3.33 0 3.95 -
+M  V30 -0.38 0 0 0 0) CSTATE=(4 5 -0.8 -0.02 0) CSTATE=(4 6 0.82 0.01 -
+M  V30 0) LABEL=A CLASS=AA SAP=(3 3 2 Al) SAP=(3 5 1 Br) 
+M  V30 END SGROUP
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 4)
+M  V30 END COLLECTION
+M  V30 END CTAB
+M  V30 TEMPLATE 2 AA/Glu/E/
+M  V30 BEGIN CTAB
+M  V30 COUNTS 12 11 4 0 1
+M  V30 BEGIN ATOM
+M  V30 1 O 11.8895 -7.3751 0 0 
+M  V30 2 H 9.8607 -7.3749 0 0 
+M  V30 3 H 10.9063 -6.5064 0 0 
+M  V30 4 O 11.929 -8.5562 0 0 
+M  V30 5 C 11.929 -7.3751 0 0 
+M  V30 6 O 10.9061 -3.241 0 0 
+M  V30 7 O 12.952 -3.241 0 0 
+M  V30 8 C 11.929 -3.8316 0 0 
+M  V30 9 C 11.929 -5.0128 0 0 
+M  V30 10 C 10.9061 -5.6034 0 0 
+M  V30 11 C 10.9061 -6.7845 0 0 CFG=2 
+M  V30 12 N 9.8835 -7.3749 0 0 CFG=3 
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 5 4 
+M  V30 2 1 5 1 
+M  V30 3 1 6 3 
+M  V30 4 2 8 7 
+M  V30 5 1 8 6 
+M  V30 6 1 9 8 
+M  V30 7 1 10 9 
+M  V30 8 1 11 10 CFG=1 
+M  V30 9 1 11 5 
+M  V30 10 1 12 11 
+M  V30 11 1 12 2 
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 3) XBONDS=(1 3) CSTATE=(4 3 -0 -0.87 0) LABEL=H -
+M  V30 CLASS=LGRP 
+M  V30 2 SUP 2 ATOMS=(1 2) XBONDS=(1 11) CSTATE=(4 11 1.05 -0 0) LABEL=H -
+M  V30 CLASS=LGRP 
+M  V30 3 SUP 3 ATOMS=(1 1) XBONDS=(1 2) CSTATE=(4 2 -0.98 0 0) LABEL=OH -
+M  V30 CLASS=LGRP 
+M  V30 4 SUP 4 ATOMS=(9 12 11 10 5 9 8 7 6 4) XBONDS=(3 3 11 2) CSTATE=(4 3 0 -
+M  V30 0.87 0) CSTATE=(4 11 -1.05 0 0) CSTATE=(4 2 0.98 -0 0) LABEL=E -
+M  V30 CLASS=AA SAP=(3 5 1 Br) SAP=(3 12 2 Al) SAP=(3 6 3 Cx) 
+M  V30 END SGROUP
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 11)
+M  V30 END COLLECTION
+M  V30 END CTAB
+M  V30 TEMPLATE 3 AA/Gly/G/
+M  V30 BEGIN CTAB
+M  V30 COUNTS 6 5 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 N 3.676 -12.5274 0 0 CFG=3 
+M  V30 2 C 4.2675 -12.095 0 0 
+M  V30 3 O 4.8932 -13.2691 0 0 
+M  V30 4 C 4.8904 -12.5161 0 0 
+M  V30 5 O 5.1042 -12.5167 0 0 
+M  V30 6 H 3.4542 -12.5125 0 0 
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2 
+M  V30 2 1 2 4 
+M  V30 3 2 4 3 
+M  V30 4 1 4 5 
+M  V30 5 1 1 6 
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 5) XBONDS=(1 4) CSTATE=(4 4 -0.82 -0.01 0) LABEL=OH -
+M  V30 CLASS=LGRP 
+M  V30 2 SUP 2 ATOMS=(4 1 2 3 4) XBONDS=(2 4 5) CSTATE=(4 4 0.82 0.01 0) -
+M  V30 CSTATE=(4 5 -0.83 0.01 0) LABEL=G CLASS=AA SAP=(3 4 5 Br) -
+M  V30 SAP=(3 1 6 Al) 
+M  V30 3 SUP 3 ATOMS=(1 6) XBONDS=(1 5) CSTATE=(4 5 0.83 -0.01 0) LABEL=H -
+M  V30 CLASS=LGRP 
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 4 AA/His/H/
+M  V30 BEGIN CTAB
+M  V30 COUNTS 13 13 4 0 1
+M  V30 BEGIN ATOM
+M  V30 1 N 13.6621 -5.9337 0 0 
+M  V30 2 H 12.1156 -8.5455 0 0 
+M  V30 3 O 13.8674 -8.5328 0 0 
+M  V30 4 O 13.6279 -9.3828 0 0 
+M  V30 5 C 13.6279 -8.5328 0 0 
+M  V30 6 N 12.2569 -8.5455 0 0 CFG=3 
+M  V30 7 C 12.9246 -8.0574 0 0 CFG=1 
+M  V30 8 C 12.9246 -7.2051 0 0 
+M  V30 9 C 13.6621 -6.7803 0 0 
+M  V30 10 C 14.4645 -7.0501 0 0 
+M  V30 11 H 12.9332 -7.5261 0 0 
+M  V30 12 C 14.4785 -5.6803 0 0 
+M  V30 13 N 14.9691 -6.3703 0 0 CFG=3 
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 1 12 
+M  V30 2 1 9 1 
+M  V30 3 2 10 9 
+M  V30 4 1 13 10 
+M  V30 5 1 12 13 
+M  V30 6 1 6 2 
+M  V30 7 1 5 3 
+M  V30 8 1 13 11 
+M  V30 9 2 5 4 
+M  V30 10 1 7 5 
+M  V30 11 1 6 7 
+M  V30 12 1 7 8 CFG=1 
+M  V30 13 1 8 9 
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 2) XBONDS=(1 6) BRKXYZ=(9 -16.63 0.59 0 -16.62 -0.11 -
+M  V30 0 0 0 0) CSTATE=(4 6 0.83 0.01 0) LABEL=H CLASS=LGRP 
+M  V30 2 SUP 2 ATOMS=(1 3) XBONDS=(1 7) BRKXYZ=(9 -14.2 -0.09 0 -14.2 0.61 0 -
+M  V30 0 0 0) CSTATE=(4 7 -0.93 -0.01 0) LABEL=OH CLASS=LGRP 
+M  V30 3 SUP 3 ATOMS=(1 11) XBONDS=(1 8) BRKXYZ=(9 -13.87 2.71 0 -13.84 3.41 -
+M  V30 0 0 0 0) CSTATE=(4 8 0.01 -1.01 0) LABEL=H CLASS=LGRP 
+M  V30 4 SUP 4 ATOMS=(10 6 7 4 5 8 1 12 13 10 9) XBONDS=(3 7 8 6) BRKXYZ=(9 -
+M  V30 -14.39 0.61 0 -14.38 -0.09 0 0 0 0) BRKXYZ=(9 -12.94 2.75 0 -
+M  V30 -12.97 2.05 0 0 0 0) BRKXYZ=(9 -16.46 -0.11 0 -16.46 0.59 0 -
+M  V30 0 0 0) CSTATE=(4 7 0.93 0.01 0) CSTATE=(4 8 -0.01 1.01 0) -
+M  V30 CSTATE=(4 6 -0.83 -0.01 0) LABEL=H CLASS=AA SAP=(3 6 2 Al) -
+M  V30 SAP=(3 5 3 Br) SAP=(3 13 11 Cx) 
+M  V30 END SGROUP
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 7)
+M  V30 END COLLECTION
+M  V30 END CTAB
+M  V30 TEMPLATE 5 AA/Pro/P/
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 9 3 0 1
+M  V30 BEGIN ATOM
+M  V30 1 O 3.5033 -2.6912 0 0 
+M  V30 2 H 1.8241 -2.6775 0 0 
+M  V30 3 C 3.3512 -2.6646 0 0 
+M  V30 4 C 2.6882 -2.2195 0 0 CFG=2 
+M  V30 5 C 2.6882 -1.4139 0 0 
+M  V30 6 C 1.8317 -1.2885 0 0 
+M  V30 7 C 1.4465 -2.0649 0 0 
+M  V30 8 N 2.0634 -2.6791 0 0 CFG=3 
+M  V30 9 O 3.3512 -3.464 0 0 
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 3 1 
+M  V30 2 1 8 2 
+M  V30 3 1 4 3 
+M  V30 4 1 4 5 CFG=1 
+M  V30 5 1 6 5 
+M  V30 6 1 7 6 
+M  V30 7 1 7 8 
+M  V30 8 1 8 4 
+M  V30 9 2 3 9 
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 1) XBONDS=(1 1) BRKXYZ=(9 3.87 -2.87 0 3.88 -2.47 0 -
+M  V30 0 0 0) CSTATE=(4 1 -0.8 0.02 0) LABEL=OH CLASS=LGRP 
+M  V30 2 SUP 2 ATOMS=(1 2) XBONDS=(1 2) BRKXYZ=(9 1.46 -2.47 0 1.47 -2.88 0 -
+M  V30 0 0 0) CSTATE=(4 2 0.88 0.01 0) LABEL=H CLASS=LGRP 
+M  V30 3 SUP 3 ATOMS=(7 3 4 5 6 7 8 9) XBONDS=(2 2 1) BRKXYZ=(9 0.8 -3.9 0 -
+M  V30 0.8 -0.91 0 0 0 0) CSTATE=(4 2 -0.88 -0.01 0) CSTATE=(4 1 0.8 -
+M  V30 -0.02 0) LABEL=P CLASS=AA SAP=(3 8 2 Al) SAP=(3 3 1 Br) 
+M  V30 END SGROUP
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 4)
+M  V30 END COLLECTION
+M  V30 END CTAB
+M  V30 TEMPLATE 6 AA/Cys/C/
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 8 4 0 1
+M  V30 BEGIN ATOM
+M  V30 1 H 9.9063 -6.8946 0 0 
+M  V30 2 S 11.0183 -5.1898 0 0 
+M  V30 3 C 9.8926 -5.8385 0 0 
+M  V30 4 C 9.8926 -7.1376 0 0 CFG=1 
+M  V30 5 C 10.9757 -7.8552 0 0 
+M  V30 6 O 11.1331 -7.875 0 0 
+M  V30 7 O 10.9757 -9.1545 0 0 
+M  V30 8 N 8.8368 -7.8948 0 0 CFG=3 
+M  V30 9 H 8.633 -7.8748 0 0 
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 2 1 
+M  V30 2 1 3 2 
+M  V30 3 1 4 3 CFG=1 
+M  V30 4 1 4 5 
+M  V30 5 1 5 6 
+M  V30 6 2 5 7 
+M  V30 7 1 8 4 
+M  V30 8 1 8 9 
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(6 8 4 7 5 3 2) XBONDS=(3 8 5 1) CSTATE=(4 8 -1.27 0 0) -
+M  V30 CSTATE=(4 5 1.23 -0 0) CSTATE=(4 1 0 0.98 0) LABEL=C -
+M  V30 CLASS=AA SAP=(3 8 9 Al) SAP=(3 5 6 Br) SAP=(3 2 1 Cx) 
+M  V30 2 SUP 2 ATOMS=(1 1) XBONDS=(1 1) CSTATE=(4 1 -0 -0.98 0) LABEL=H -
+M  V30 CLASS=LGRP 
+M  V30 3 SUP 3 ATOMS=(1 6) XBONDS=(1 5) CSTATE=(4 5 -1.23 0 0) LABEL=OH -
+M  V30 CLASS=LGRP 
+M  V30 4 SUP 4 ATOMS=(1 9) XBONDS=(1 8) CSTATE=(4 8 1.27 -0 0) LABEL=H -
+M  V30 CLASS=LGRP 
+M  V30 END SGROUP
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 4)
+M  V30 END COLLECTION
+M  V30 END CTAB
+M  V30 END TEMPLATE
+M  END
diff --git a/Code/GraphMol/FileParsers/test_data/macromols/badClass.mol b/Code/GraphMol/FileParsers/test_data/macromols/badClass.mol
new file mode 100644
index 000000000..aaad7c34c
--- /dev/null
+++ b/Code/GraphMol/FileParsers/test_data/macromols/badClass.mol
@@ -0,0 +1,267 @@
+
+  ACCLDraw11122415482D
+
+  0  0  0     0  0            999 V3000
+M  V30 BEGIN CTAB
+M  V30 COUNTS 8 7 1 0 1
+M  V30 BEGIN ATOM
+M  V30 1 Ala 1.6016 -11.5026 0 0 CLASS=AA ATTCHORD=(2 2 Br) SEQID=1 
+M  V30 2 Glu 2.5464 -11.5026 0 0 CLASS=BB ATTCHORD=(4 3 Br 1 Al) SEQID=2 
+M  V30 3 Gly 3.4913 -11.5026 0 0 CLASS=AA ATTCHORD=(4 8 Br 2 Al) SEQID=3 
+M  V30 4 His 5.3811 -11.5026 0 0 CLASS=AA ATTCHORD=(4 8 Al 5 Br) SEQID=5 
+M  V30 5 His 6.326 -11.5026 0 0 CLASS=AA ATTCHORD=(4 4 Al 7 Br) SEQID=6 
+M  V30 6 Pro 8.2157 -11.5026 0 0 CLASS=AA ATTCHORD=(2 7 Al) SEQID=8 
+M  V30 7 Cys 7.2709 -11.5026 0 0 CLASS=AA ATTCHORD=(4 5 Al 6 Br) SEQID=7 
+M  V30 8 Cys 4.4362 -11.5026 0 0 CLASS=AA ATTCHORD=(4 3 Al 4 Br) SEQID=4 
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 2 1 
+M  V30 2 1 2 3 
+M  V30 3 1 8 3 
+M  V30 4 1 4 8 
+M  V30 5 1 5 4 
+M  V30 6 1 5 7 
+M  V30 7 1 7 6 
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 DAT 1 ATOMS=(1 1) FIELDNAME="SMMX:sequence position data" -
+M  V30 FIELDDISP="    1.6016  -11.5026    DA    ALL  1     " 
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 BEGIN TEMPLATE
+M  V30 TEMPLATE 1 AA/Ala/A/
+M  V30 BEGIN CTAB
+M  V30 COUNTS 7 6 3 0 1
+M  V30 BEGIN ATOM
+M  V30 1 O 6.6266 -2.0662 0 0 
+M  V30 2 H 5.0016 -2.0876 0 0 
+M  V30 3 N 5.1358 -2.0784 0 0 CFG=3 
+M  V30 4 C 5.7844 -1.5983 0 0 CFG=2 
+M  V30 5 C 6.4753 -2.0653 0 0 
+M  V30 6 O 6.4753 -2.8977 0 0 
+M  V30 7 C 5.7844 -0.7662 0 0 
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 3 4 
+M  V30 2 1 4 5 
+M  V30 3 2 5 6 
+M  V30 4 1 4 7 CFG=1 
+M  V30 5 1 3 2 
+M  V30 6 1 5 1 
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 1) XBONDS=(1 6) BRKXYZ=(9 7.02 -2.26 0 7.02 -1.85 0 -
+M  V30 0 0 0) CSTATE=(4 6 -0.82 -0.01 0) LABEL=OH CLASS=LGRP 
+M  V30 2 SUP 2 ATOMS=(1 2) XBONDS=(1 5) BRKXYZ=(9 4.58 -1.87 0 4.6 -2.28 0 -
+M  V30 0 0 0) CSTATE=(4 5 0.8 0.02 0) LABEL=H CLASS=LGRP 
+M  V30 3 SUP 3 ATOMS=(5 3 4 5 6 7) XBONDS=(2 5 6) BRKXYZ=(9 3.95 -3.33 0 3.95 -
+M  V30 -0.38 0 0 0 0) CSTATE=(4 5 -0.8 -0.02 0) CSTATE=(4 6 0.82 0.01 -
+M  V30 0) LABEL=A CLASS=AA SAP=(3 3 2 Al) SAP=(3 5 1 Br) 
+M  V30 END SGROUP
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 4)
+M  V30 END COLLECTION
+M  V30 END CTAB
+M  V30 TEMPLATE 2 AA/Glu/E/
+M  V30 BEGIN CTAB
+M  V30 COUNTS 12 11 4 0 1
+M  V30 BEGIN ATOM
+M  V30 1 O 11.8895 -7.3751 0 0 
+M  V30 2 H 9.8607 -7.3749 0 0 
+M  V30 3 H 10.9063 -6.5064 0 0 
+M  V30 4 O 11.929 -8.5562 0 0 
+M  V30 5 C 11.929 -7.3751 0 0 
+M  V30 6 O 10.9061 -3.241 0 0 
+M  V30 7 O 12.952 -3.241 0 0 
+M  V30 8 C 11.929 -3.8316 0 0 
+M  V30 9 C 11.929 -5.0128 0 0 
+M  V30 10 C 10.9061 -5.6034 0 0 
+M  V30 11 C 10.9061 -6.7845 0 0 CFG=2 
+M  V30 12 N 9.8835 -7.3749 0 0 CFG=3 
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 5 4 
+M  V30 2 1 5 1 
+M  V30 3 1 6 3 
+M  V30 4 2 8 7 
+M  V30 5 1 8 6 
+M  V30 6 1 9 8 
+M  V30 7 1 10 9 
+M  V30 8 1 11 10 CFG=1 
+M  V30 9 1 11 5 
+M  V30 10 1 12 11 
+M  V30 11 1 12 2 
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 3) XBONDS=(1 3) CSTATE=(4 3 -0 -0.87 0) LABEL=H -
+M  V30 CLASS=LGRP 
+M  V30 2 SUP 2 ATOMS=(1 2) XBONDS=(1 11) CSTATE=(4 11 1.05 -0 0) LABEL=H -
+M  V30 CLASS=LGRP 
+M  V30 3 SUP 3 ATOMS=(1 1) XBONDS=(1 2) CSTATE=(4 2 -0.98 0 0) LABEL=OH -
+M  V30 CLASS=LGRP 
+M  V30 4 SUP 4 ATOMS=(9 12 11 10 5 9 8 7 6 4) XBONDS=(3 3 11 2) CSTATE=(4 3 0 -
+M  V30 0.87 0) CSTATE=(4 11 -1.05 0 0) CSTATE=(4 2 0.98 -0 0) LABEL=E -
+M  V30 CLASS=AA SAP=(3 5 1 Br) SAP=(3 12 2 Al) SAP=(3 6 3 Cx) 
+M  V30 END SGROUP
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 11)
+M  V30 END COLLECTION
+M  V30 END CTAB
+M  V30 TEMPLATE 3 AA/Gly/G/
+M  V30 BEGIN CTAB
+M  V30 COUNTS 6 5 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 N 3.676 -12.5274 0 0 CFG=3 
+M  V30 2 C 4.2675 -12.095 0 0 
+M  V30 3 O 4.8932 -13.2691 0 0 
+M  V30 4 C 4.8904 -12.5161 0 0 
+M  V30 5 O 5.1042 -12.5167 0 0 
+M  V30 6 H 3.4542 -12.5125 0 0 
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2 
+M  V30 2 1 2 4 
+M  V30 3 2 4 3 
+M  V30 4 1 4 5 
+M  V30 5 1 1 6 
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 5) XBONDS=(1 4) CSTATE=(4 4 -0.82 -0.01 0) LABEL=OH -
+M  V30 CLASS=LGRP 
+M  V30 2 SUP 2 ATOMS=(4 1 2 3 4) XBONDS=(2 4 5) CSTATE=(4 4 0.82 0.01 0) -
+M  V30 CSTATE=(4 5 -0.83 0.01 0) LABEL=G CLASS=AA SAP=(3 4 5 Br) -
+M  V30 SAP=(3 1 6 Al) 
+M  V30 3 SUP 3 ATOMS=(1 6) XBONDS=(1 5) CSTATE=(4 5 0.83 -0.01 0) LABEL=H -
+M  V30 CLASS=LGRP 
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 4 AA/His/H/
+M  V30 BEGIN CTAB
+M  V30 COUNTS 13 13 4 0 1
+M  V30 BEGIN ATOM
+M  V30 1 N 13.6621 -5.9337 0 0 
+M  V30 2 H 12.1156 -8.5455 0 0 
+M  V30 3 O 13.8674 -8.5328 0 0 
+M  V30 4 O 13.6279 -9.3828 0 0 
+M  V30 5 C 13.6279 -8.5328 0 0 
+M  V30 6 N 12.2569 -8.5455 0 0 CFG=3 
+M  V30 7 C 12.9246 -8.0574 0 0 CFG=1 
+M  V30 8 C 12.9246 -7.2051 0 0 
+M  V30 9 C 13.6621 -6.7803 0 0 
+M  V30 10 C 14.4645 -7.0501 0 0 
+M  V30 11 H 12.9332 -7.5261 0 0 
+M  V30 12 C 14.4785 -5.6803 0 0 
+M  V30 13 N 14.9691 -6.3703 0 0 CFG=3 
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 1 12 
+M  V30 2 1 9 1 
+M  V30 3 2 10 9 
+M  V30 4 1 13 10 
+M  V30 5 1 12 13 
+M  V30 6 1 6 2 
+M  V30 7 1 5 3 
+M  V30 8 1 13 11 
+M  V30 9 2 5 4 
+M  V30 10 1 7 5 
+M  V30 11 1 6 7 
+M  V30 12 1 7 8 CFG=1 
+M  V30 13 1 8 9 
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 2) XBONDS=(1 6) BRKXYZ=(9 -16.63 0.59 0 -16.62 -0.11 -
+M  V30 0 0 0 0) CSTATE=(4 6 0.83 0.01 0) LABEL=H CLASS=LGRP 
+M  V30 2 SUP 2 ATOMS=(1 3) XBONDS=(1 7) BRKXYZ=(9 -14.2 -0.09 0 -14.2 0.61 0 -
+M  V30 0 0 0) CSTATE=(4 7 -0.93 -0.01 0) LABEL=OH CLASS=LGRP 
+M  V30 3 SUP 3 ATOMS=(1 11) XBONDS=(1 8) BRKXYZ=(9 -13.87 2.71 0 -13.84 3.41 -
+M  V30 0 0 0 0) CSTATE=(4 8 0.01 -1.01 0) LABEL=H CLASS=LGRP 
+M  V30 4 SUP 4 ATOMS=(10 6 7 4 5 8 1 12 13 10 9) XBONDS=(3 7 8 6) BRKXYZ=(9 -
+M  V30 -14.39 0.61 0 -14.38 -0.09 0 0 0 0) BRKXYZ=(9 -12.94 2.75 0 -
+M  V30 -12.97 2.05 0 0 0 0) BRKXYZ=(9 -16.46 -0.11 0 -16.46 0.59 0 -
+M  V30 0 0 0) CSTATE=(4 7 0.93 0.01 0) CSTATE=(4 8 -0.01 1.01 0) -
+M  V30 CSTATE=(4 6 -0.83 -0.01 0) LABEL=H CLASS=AA SAP=(3 6 2 Al) -
+M  V30 SAP=(3 5 3 Br) SAP=(3 13 11 Cx) 
+M  V30 END SGROUP
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 7)
+M  V30 END COLLECTION
+M  V30 END CTAB
+M  V30 TEMPLATE 5 AA/Pro/P/
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 9 3 0 1
+M  V30 BEGIN ATOM
+M  V30 1 O 3.5033 -2.6912 0 0 
+M  V30 2 H 1.8241 -2.6775 0 0 
+M  V30 3 C 3.3512 -2.6646 0 0 
+M  V30 4 C 2.6882 -2.2195 0 0 CFG=2 
+M  V30 5 C 2.6882 -1.4139 0 0 
+M  V30 6 C 1.8317 -1.2885 0 0 
+M  V30 7 C 1.4465 -2.0649 0 0 
+M  V30 8 N 2.0634 -2.6791 0 0 CFG=3 
+M  V30 9 O 3.3512 -3.464 0 0 
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 3 1 
+M  V30 2 1 8 2 
+M  V30 3 1 4 3 
+M  V30 4 1 4 5 CFG=1 
+M  V30 5 1 6 5 
+M  V30 6 1 7 6 
+M  V30 7 1 7 8 
+M  V30 8 1 8 4 
+M  V30 9 2 3 9 
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 1) XBONDS=(1 1) BRKXYZ=(9 3.87 -2.87 0 3.88 -2.47 0 -
+M  V30 0 0 0) CSTATE=(4 1 -0.8 0.02 0) LABEL=OH CLASS=LGRP 
+M  V30 2 SUP 2 ATOMS=(1 2) XBONDS=(1 2) BRKXYZ=(9 1.46 -2.47 0 1.47 -2.88 0 -
+M  V30 0 0 0) CSTATE=(4 2 0.88 0.01 0) LABEL=H CLASS=LGRP 
+M  V30 3 SUP 3 ATOMS=(7 3 4 5 6 7 8 9) XBONDS=(2 2 1) BRKXYZ=(9 0.8 -3.9 0 -
+M  V30 0.8 -0.91 0 0 0 0) CSTATE=(4 2 -0.88 -0.01 0) CSTATE=(4 1 0.8 -
+M  V30 -0.02 0) LABEL=P CLASS=AA SAP=(3 8 2 Al) SAP=(3 3 1 Br) 
+M  V30 END SGROUP
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 4)
+M  V30 END COLLECTION
+M  V30 END CTAB
+M  V30 TEMPLATE 6 AA/Cys/C/
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 8 4 0 1
+M  V30 BEGIN ATOM
+M  V30 1 H 9.9063 -6.8946 0 0 
+M  V30 2 S 11.0183 -5.1898 0 0 
+M  V30 3 C 9.8926 -5.8385 0 0 
+M  V30 4 C 9.8926 -7.1376 0 0 CFG=1 
+M  V30 5 C 10.9757 -7.8552 0 0 
+M  V30 6 O 11.1331 -7.875 0 0 
+M  V30 7 O 10.9757 -9.1545 0 0 
+M  V30 8 N 8.8368 -7.8948 0 0 CFG=3 
+M  V30 9 H 8.633 -7.8748 0 0 
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 2 1 
+M  V30 2 1 3 2 
+M  V30 3 1 4 3 CFG=1 
+M  V30 4 1 4 5 
+M  V30 5 1 5 6 
+M  V30 6 2 5 7 
+M  V30 7 1 8 4 
+M  V30 8 1 8 9 
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(6 8 4 7 5 3 2) XBONDS=(3 8 5 1) CSTATE=(4 8 -1.27 0 0) -
+M  V30 CSTATE=(4 5 1.23 -0 0) CSTATE=(4 1 0 0.98 0) LABEL=C -
+M  V30 CLASS=AA SAP=(3 8 9 Al) SAP=(3 5 6 Br) SAP=(3 2 1 Cx) 
+M  V30 2 SUP 2 ATOMS=(1 1) XBONDS=(1 1) CSTATE=(4 1 -0 -0.98 0) LABEL=H -
+M  V30 CLASS=LGRP 
+M  V30 3 SUP 3 ATOMS=(1 6) XBONDS=(1 5) CSTATE=(4 5 -1.23 0 0) LABEL=OH -
+M  V30 CLASS=LGRP 
+M  V30 4 SUP 4 ATOMS=(1 9) XBONDS=(1 8) CSTATE=(4 8 1.27 -0 0) LABEL=H -
+M  V30 CLASS=LGRP 
+M  V30 END SGROUP
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 4)
+M  V30 END COLLECTION
+M  V30 END CTAB
+M  V30 END TEMPLATE
+M  END
diff --git a/Code/GraphMol/FileParsers/test_data/macromols/badClassTemlate.mol b/Code/GraphMol/FileParsers/test_data/macromols/badClassTemlate.mol
new file mode 100644
index 000000000..fb8e88915
--- /dev/null
+++ b/Code/GraphMol/FileParsers/test_data/macromols/badClassTemlate.mol
@@ -0,0 +1,267 @@
+
+  ACCLDraw11122415482D
+
+  0  0  0     0  0            999 V3000
+M  V30 BEGIN CTAB
+M  V30 COUNTS 8 7 1 0 1
+M  V30 BEGIN ATOM
+M  V30 1 Ala 1.6016 -11.5026 0 0 CLASS=AA ATTCHORD=(2 2 Br) SEQID=1 
+M  V30 2 Glu 2.5464 -11.5026 0 0 CLASS=AA ATTCHORD=(4 3 Br 1 Al) SEQID=2 
+M  V30 3 Gly 3.4913 -11.5026 0 0 CLASS=AA ATTCHORD=(4 8 Br 2 Al) SEQID=3 
+M  V30 4 His 5.3811 -11.5026 0 0 CLASS=AA ATTCHORD=(4 8 Al 5 Br) SEQID=5 
+M  V30 5 His 6.326 -11.5026 0 0 CLASS=AA ATTCHORD=(4 4 Al 7 Br) SEQID=6 
+M  V30 6 Pro 8.2157 -11.5026 0 0 CLASS=AA ATTCHORD=(2 7 Al) SEQID=8 
+M  V30 7 Cys 7.2709 -11.5026 0 0 CLASS=AA ATTCHORD=(4 5 Al 6 Br) SEQID=7 
+M  V30 8 Cys 4.4362 -11.5026 0 0 CLASS=AA ATTCHORD=(4 3 Al 4 Br) SEQID=4 
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 2 1 
+M  V30 2 1 2 3 
+M  V30 3 1 8 3 
+M  V30 4 1 4 8 
+M  V30 5 1 5 4 
+M  V30 6 1 5 7 
+M  V30 7 1 7 6 
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 DAT 1 ATOMS=(1 1) FIELDNAME="SMMX:sequence position data" -
+M  V30 FIELDDISP="    1.6016  -11.5026    DA    ALL  1     " 
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 BEGIN TEMPLATE
+M  V30 TEMPLATE 1 BB/Ala/A/
+M  V30 BEGIN CTAB
+M  V30 COUNTS 7 6 3 0 1
+M  V30 BEGIN ATOM
+M  V30 1 O 6.6266 -2.0662 0 0 
+M  V30 2 H 5.0016 -2.0876 0 0 
+M  V30 3 N 5.1358 -2.0784 0 0 CFG=3 
+M  V30 4 C 5.7844 -1.5983 0 0 CFG=2 
+M  V30 5 C 6.4753 -2.0653 0 0 
+M  V30 6 O 6.4753 -2.8977 0 0 
+M  V30 7 C 5.7844 -0.7662 0 0 
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 3 4 
+M  V30 2 1 4 5 
+M  V30 3 2 5 6 
+M  V30 4 1 4 7 CFG=1 
+M  V30 5 1 3 2 
+M  V30 6 1 5 1 
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 1) XBONDS=(1 6) BRKXYZ=(9 7.02 -2.26 0 7.02 -1.85 0 -
+M  V30 0 0 0) CSTATE=(4 6 -0.82 -0.01 0) LABEL=OH CLASS=LGRP 
+M  V30 2 SUP 2 ATOMS=(1 2) XBONDS=(1 5) BRKXYZ=(9 4.58 -1.87 0 4.6 -2.28 0 -
+M  V30 0 0 0) CSTATE=(4 5 0.8 0.02 0) LABEL=H CLASS=LGRP 
+M  V30 3 SUP 3 ATOMS=(5 3 4 5 6 7) XBONDS=(2 5 6) BRKXYZ=(9 3.95 -3.33 0 3.95 -
+M  V30 -0.38 0 0 0 0) CSTATE=(4 5 -0.8 -0.02 0) CSTATE=(4 6 0.82 0.01 -
+M  V30 0) LABEL=A CLASS=AA SAP=(3 3 2 Al) SAP=(3 5 1 Br) 
+M  V30 END SGROUP
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 4)
+M  V30 END COLLECTION
+M  V30 END CTAB
+M  V30 TEMPLATE 2 AA/Glu/E/
+M  V30 BEGIN CTAB
+M  V30 COUNTS 12 11 4 0 1
+M  V30 BEGIN ATOM
+M  V30 1 O 11.8895 -7.3751 0 0 
+M  V30 2 H 9.8607 -7.3749 0 0 
+M  V30 3 H 10.9063 -6.5064 0 0 
+M  V30 4 O 11.929 -8.5562 0 0 
+M  V30 5 C 11.929 -7.3751 0 0 
+M  V30 6 O 10.9061 -3.241 0 0 
+M  V30 7 O 12.952 -3.241 0 0 
+M  V30 8 C 11.929 -3.8316 0 0 
+M  V30 9 C 11.929 -5.0128 0 0 
+M  V30 10 C 10.9061 -5.6034 0 0 
+M  V30 11 C 10.9061 -6.7845 0 0 CFG=2 
+M  V30 12 N 9.8835 -7.3749 0 0 CFG=3 
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 5 4 
+M  V30 2 1 5 1 
+M  V30 3 1 6 3 
+M  V30 4 2 8 7 
+M  V30 5 1 8 6 
+M  V30 6 1 9 8 
+M  V30 7 1 10 9 
+M  V30 8 1 11 10 CFG=1 
+M  V30 9 1 11 5 
+M  V30 10 1 12 11 
+M  V30 11 1 12 2 
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 3) XBONDS=(1 3) CSTATE=(4 3 -0 -0.87 0) LABEL=H -
+M  V30 CLASS=LGRP 
+M  V30 2 SUP 2 ATOMS=(1 2) XBONDS=(1 11) CSTATE=(4 11 1.05 -0 0) LABEL=H -
+M  V30 CLASS=LGRP 
+M  V30 3 SUP 3 ATOMS=(1 1) XBONDS=(1 2) CSTATE=(4 2 -0.98 0 0) LABEL=OH -
+M  V30 CLASS=LGRP 
+M  V30 4 SUP 4 ATOMS=(9 12 11 10 5 9 8 7 6 4) XBONDS=(3 3 11 2) CSTATE=(4 3 0 -
+M  V30 0.87 0) CSTATE=(4 11 -1.05 0 0) CSTATE=(4 2 0.98 -0 0) LABEL=E -
+M  V30 CLASS=AA SAP=(3 5 1 Br) SAP=(3 12 2 Al) SAP=(3 6 3 Cx) 
+M  V30 END SGROUP
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 11)
+M  V30 END COLLECTION
+M  V30 END CTAB
+M  V30 TEMPLATE 3 AA/Gly/G/
+M  V30 BEGIN CTAB
+M  V30 COUNTS 6 5 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 N 3.676 -12.5274 0 0 CFG=3 
+M  V30 2 C 4.2675 -12.095 0 0 
+M  V30 3 O 4.8932 -13.2691 0 0 
+M  V30 4 C 4.8904 -12.5161 0 0 
+M  V30 5 O 5.1042 -12.5167 0 0 
+M  V30 6 H 3.4542 -12.5125 0 0 
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2 
+M  V30 2 1 2 4 
+M  V30 3 2 4 3 
+M  V30 4 1 4 5 
+M  V30 5 1 1 6 
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 5) XBONDS=(1 4) CSTATE=(4 4 -0.82 -0.01 0) LABEL=OH -
+M  V30 CLASS=LGRP 
+M  V30 2 SUP 2 ATOMS=(4 1 2 3 4) XBONDS=(2 4 5) CSTATE=(4 4 0.82 0.01 0) -
+M  V30 CSTATE=(4 5 -0.83 0.01 0) LABEL=G CLASS=AA SAP=(3 4 5 Br) -
+M  V30 SAP=(3 1 6 Al) 
+M  V30 3 SUP 3 ATOMS=(1 6) XBONDS=(1 5) CSTATE=(4 5 0.83 -0.01 0) LABEL=H -
+M  V30 CLASS=LGRP 
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 4 AA/His/H/
+M  V30 BEGIN CTAB
+M  V30 COUNTS 13 13 4 0 1
+M  V30 BEGIN ATOM
+M  V30 1 N 13.6621 -5.9337 0 0 
+M  V30 2 H 12.1156 -8.5455 0 0 
+M  V30 3 O 13.8674 -8.5328 0 0 
+M  V30 4 O 13.6279 -9.3828 0 0 
+M  V30 5 C 13.6279 -8.5328 0 0 
+M  V30 6 N 12.2569 -8.5455 0 0 CFG=3 
+M  V30 7 C 12.9246 -8.0574 0 0 CFG=1 
+M  V30 8 C 12.9246 -7.2051 0 0 
+M  V30 9 C 13.6621 -6.7803 0 0 
+M  V30 10 C 14.4645 -7.0501 0 0 
+M  V30 11 H 12.9332 -7.5261 0 0 
+M  V30 12 C 14.4785 -5.6803 0 0 
+M  V30 13 N 14.9691 -6.3703 0 0 CFG=3 
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 1 12 
+M  V30 2 1 9 1 
+M  V30 3 2 10 9 
+M  V30 4 1 13 10 
+M  V30 5 1 12 13 
+M  V30 6 1 6 2 
+M  V30 7 1 5 3 
+M  V30 8 1 13 11 
+M  V30 9 2 5 4 
+M  V30 10 1 7 5 
+M  V30 11 1 6 7 
+M  V30 12 1 7 8 CFG=1 
+M  V30 13 1 8 9 
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 2) XBONDS=(1 6) BRKXYZ=(9 -16.63 0.59 0 -16.62 -0.11 -
+M  V30 0 0 0 0) CSTATE=(4 6 0.83 0.01 0) LABEL=H CLASS=LGRP 
+M  V30 2 SUP 2 ATOMS=(1 3) XBONDS=(1 7) BRKXYZ=(9 -14.2 -0.09 0 -14.2 0.61 0 -
+M  V30 0 0 0) CSTATE=(4 7 -0.93 -0.01 0) LABEL=OH CLASS=LGRP 
+M  V30 3 SUP 3 ATOMS=(1 11) XBONDS=(1 8) BRKXYZ=(9 -13.87 2.71 0 -13.84 3.41 -
+M  V30 0 0 0 0) CSTATE=(4 8 0.01 -1.01 0) LABEL=H CLASS=LGRP 
+M  V30 4 SUP 4 ATOMS=(10 6 7 4 5 8 1 12 13 10 9) XBONDS=(3 7 8 6) BRKXYZ=(9 -
+M  V30 -14.39 0.61 0 -14.38 -0.09 0 0 0 0) BRKXYZ=(9 -12.94 2.75 0 -
+M  V30 -12.97 2.05 0 0 0 0) BRKXYZ=(9 -16.46 -0.11 0 -16.46 0.59 0 -
+M  V30 0 0 0) CSTATE=(4 7 0.93 0.01 0) CSTATE=(4 8 -0.01 1.01 0) -
+M  V30 CSTATE=(4 6 -0.83 -0.01 0) LABEL=H CLASS=AA SAP=(3 6 2 Al) -
+M  V30 SAP=(3 5 3 Br) SAP=(3 13 11 Cx) 
+M  V30 END SGROUP
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 7)
+M  V30 END COLLECTION
+M  V30 END CTAB
+M  V30 TEMPLATE 5 AA/Pro/P/
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 9 3 0 1
+M  V30 BEGIN ATOM
+M  V30 1 O 3.5033 -2.6912 0 0 
+M  V30 2 H 1.8241 -2.6775 0 0 
+M  V30 3 C 3.3512 -2.6646 0 0 
+M  V30 4 C 2.6882 -2.2195 0 0 CFG=2 
+M  V30 5 C 2.6882 -1.4139 0 0 
+M  V30 6 C 1.8317 -1.2885 0 0 
+M  V30 7 C 1.4465 -2.0649 0 0 
+M  V30 8 N 2.0634 -2.6791 0 0 CFG=3 
+M  V30 9 O 3.3512 -3.464 0 0 
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 3 1 
+M  V30 2 1 8 2 
+M  V30 3 1 4 3 
+M  V30 4 1 4 5 CFG=1 
+M  V30 5 1 6 5 
+M  V30 6 1 7 6 
+M  V30 7 1 7 8 
+M  V30 8 1 8 4 
+M  V30 9 2 3 9 
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 1) XBONDS=(1 1) BRKXYZ=(9 3.87 -2.87 0 3.88 -2.47 0 -
+M  V30 0 0 0) CSTATE=(4 1 -0.8 0.02 0) LABEL=OH CLASS=LGRP 
+M  V30 2 SUP 2 ATOMS=(1 2) XBONDS=(1 2) BRKXYZ=(9 1.46 -2.47 0 1.47 -2.88 0 -
+M  V30 0 0 0) CSTATE=(4 2 0.88 0.01 0) LABEL=H CLASS=LGRP 
+M  V30 3 SUP 3 ATOMS=(7 3 4 5 6 7 8 9) XBONDS=(2 2 1) BRKXYZ=(9 0.8 -3.9 0 -
+M  V30 0.8 -0.91 0 0 0 0) CSTATE=(4 2 -0.88 -0.01 0) CSTATE=(4 1 0.8 -
+M  V30 -0.02 0) LABEL=P CLASS=AA SAP=(3 8 2 Al) SAP=(3 3 1 Br) 
+M  V30 END SGROUP
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 4)
+M  V30 END COLLECTION
+M  V30 END CTAB
+M  V30 TEMPLATE 6 AA/Cys/C/
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 8 4 0 1
+M  V30 BEGIN ATOM
+M  V30 1 H 9.9063 -6.8946 0 0 
+M  V30 2 S 11.0183 -5.1898 0 0 
+M  V30 3 C 9.8926 -5.8385 0 0 
+M  V30 4 C 9.8926 -7.1376 0 0 CFG=1 
+M  V30 5 C 10.9757 -7.8552 0 0 
+M  V30 6 O 11.1331 -7.875 0 0 
+M  V30 7 O 10.9757 -9.1545 0 0 
+M  V30 8 N 8.8368 -7.8948 0 0 CFG=3 
+M  V30 9 H 8.633 -7.8748 0 0 
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 2 1 
+M  V30 2 1 3 2 
+M  V30 3 1 4 3 CFG=1 
+M  V30 4 1 4 5 
+M  V30 5 1 5 6 
+M  V30 6 2 5 7 
+M  V30 7 1 8 4 
+M  V30 8 1 8 9 
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(6 8 4 7 5 3 2) XBONDS=(3 8 5 1) CSTATE=(4 8 -1.27 0 0) -
+M  V30 CSTATE=(4 5 1.23 -0 0) CSTATE=(4 1 0 0.98 0) LABEL=C -
+M  V30 CLASS=AA SAP=(3 8 9 Al) SAP=(3 5 6 Br) SAP=(3 2 1 Cx) 
+M  V30 2 SUP 2 ATOMS=(1 1) XBONDS=(1 1) CSTATE=(4 1 -0 -0.98 0) LABEL=H -
+M  V30 CLASS=LGRP 
+M  V30 3 SUP 3 ATOMS=(1 6) XBONDS=(1 5) CSTATE=(4 5 -1.23 0 0) LABEL=OH -
+M  V30 CLASS=LGRP 
+M  V30 4 SUP 4 ATOMS=(1 9) XBONDS=(1 8) CSTATE=(4 8 1.27 -0 0) LABEL=H -
+M  V30 CLASS=LGRP 
+M  V30 END SGROUP
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 4)
+M  V30 END COLLECTION
+M  V30 END CTAB
+M  V30 END TEMPLATE
+M  END
diff --git a/Code/GraphMol/FileParsers/test_data/macromols/badConnection.mol b/Code/GraphMol/FileParsers/test_data/macromols/badConnection.mol
new file mode 100644
index 000000000..5a8874c1b
--- /dev/null
+++ b/Code/GraphMol/FileParsers/test_data/macromols/badConnection.mol
@@ -0,0 +1,267 @@
+
+  ACCLDraw11122415482D
+
+  0  0  0     0  0            999 V3000
+M  V30 BEGIN CTAB
+M  V30 COUNTS 8 7 1 0 1
+M  V30 BEGIN ATOM
+M  V30 1 Ala 1.6016 -11.5026 0 0 CLASS=AA ATTCHORD=(2 2 Br) SEQID=1 
+M  V30 2 Glu 2.5464 -11.5026 0 0 CLASS=AA ATTCHORD=(4 3 Br 1 Qq) SEQID=2 
+M  V30 3 Gly 3.4913 -11.5026 0 0 CLASS=AA ATTCHORD=(4 8 Br 2 Al) SEQID=3 
+M  V30 4 His 5.3811 -11.5026 0 0 CLASS=AA ATTCHORD=(4 8 Al 5 Br) SEQID=5 
+M  V30 5 His 6.326 -11.5026 0 0 CLASS=AA ATTCHORD=(4 4 Al 7 Br) SEQID=6 
+M  V30 6 Pro 8.2157 -11.5026 0 0 CLASS=AA ATTCHORD=(2 7 Al) SEQID=8 
+M  V30 7 Cys 7.2709 -11.5026 0 0 CLASS=AA ATTCHORD=(4 5 Al 6 Br) SEQID=7 
+M  V30 8 Cys 4.4362 -11.5026 0 0 CLASS=AA ATTCHORD=(4 3 Al 4 Br) SEQID=4 
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 2 1 
+M  V30 2 1 2 3 
+M  V30 3 1 8 3 
+M  V30 4 1 4 8 
+M  V30 5 1 5 4 
+M  V30 6 1 5 7 
+M  V30 7 1 7 6 
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 DAT 1 ATOMS=(1 1) FIELDNAME="SMMX:sequence position data" -
+M  V30 FIELDDISP="    1.6016  -11.5026    DA    ALL  1     " 
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 BEGIN TEMPLATE
+M  V30 TEMPLATE 1 AA/Ala/A/
+M  V30 BEGIN CTAB
+M  V30 COUNTS 7 6 3 0 1
+M  V30 BEGIN ATOM
+M  V30 1 O 6.6266 -2.0662 0 0 
+M  V30 2 H 5.0016 -2.0876 0 0 
+M  V30 3 N 5.1358 -2.0784 0 0 CFG=3 
+M  V30 4 C 5.7844 -1.5983 0 0 CFG=2 
+M  V30 5 C 6.4753 -2.0653 0 0 
+M  V30 6 O 6.4753 -2.8977 0 0 
+M  V30 7 C 5.7844 -0.7662 0 0 
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 3 4 
+M  V30 2 1 4 5 
+M  V30 3 2 5 6 
+M  V30 4 1 4 7 CFG=1 
+M  V30 5 1 3 2 
+M  V30 6 1 5 1 
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 1) XBONDS=(1 6) BRKXYZ=(9 7.02 -2.26 0 7.02 -1.85 0 -
+M  V30 0 0 0) CSTATE=(4 6 -0.82 -0.01 0) LABEL=OH CLASS=LGRP 
+M  V30 2 SUP 2 ATOMS=(1 2) XBONDS=(1 5) BRKXYZ=(9 4.58 -1.87 0 4.6 -2.28 0 -
+M  V30 0 0 0) CSTATE=(4 5 0.8 0.02 0) LABEL=H CLASS=LGRP 
+M  V30 3 SUP 3 ATOMS=(5 3 4 5 6 7) XBONDS=(2 5 6) BRKXYZ=(9 3.95 -3.33 0 3.95 -
+M  V30 -0.38 0 0 0 0) CSTATE=(4 5 -0.8 -0.02 0) CSTATE=(4 6 0.82 0.01 -
+M  V30 0) LABEL=A CLASS=AA SAP=(3 3 2 Al) SAP=(3 5 1 Br) 
+M  V30 END SGROUP
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 4)
+M  V30 END COLLECTION
+M  V30 END CTAB
+M  V30 TEMPLATE 2 AA/Glu/E/
+M  V30 BEGIN CTAB
+M  V30 COUNTS 12 11 4 0 1
+M  V30 BEGIN ATOM
+M  V30 1 O 11.8895 -7.3751 0 0 
+M  V30 2 H 9.8607 -7.3749 0 0 
+M  V30 3 H 10.9063 -6.5064 0 0 
+M  V30 4 O 11.929 -8.5562 0 0 
+M  V30 5 C 11.929 -7.3751 0 0 
+M  V30 6 O 10.9061 -3.241 0 0 
+M  V30 7 O 12.952 -3.241 0 0 
+M  V30 8 C 11.929 -3.8316 0 0 
+M  V30 9 C 11.929 -5.0128 0 0 
+M  V30 10 C 10.9061 -5.6034 0 0 
+M  V30 11 C 10.9061 -6.7845 0 0 CFG=2 
+M  V30 12 N 9.8835 -7.3749 0 0 CFG=3 
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 5 4 
+M  V30 2 1 5 1 
+M  V30 3 1 6 3 
+M  V30 4 2 8 7 
+M  V30 5 1 8 6 
+M  V30 6 1 9 8 
+M  V30 7 1 10 9 
+M  V30 8 1 11 10 CFG=1 
+M  V30 9 1 11 5 
+M  V30 10 1 12 11 
+M  V30 11 1 12 2 
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 3) XBONDS=(1 3) CSTATE=(4 3 -0 -0.87 0) LABEL=H -
+M  V30 CLASS=LGRP 
+M  V30 2 SUP 2 ATOMS=(1 2) XBONDS=(1 11) CSTATE=(4 11 1.05 -0 0) LABEL=H -
+M  V30 CLASS=LGRP 
+M  V30 3 SUP 3 ATOMS=(1 1) XBONDS=(1 2) CSTATE=(4 2 -0.98 0 0) LABEL=OH -
+M  V30 CLASS=LGRP 
+M  V30 4 SUP 4 ATOMS=(9 12 11 10 5 9 8 7 6 4) XBONDS=(3 3 11 2) CSTATE=(4 3 0 -
+M  V30 0.87 0) CSTATE=(4 11 -1.05 0 0) CSTATE=(4 2 0.98 -0 0) LABEL=E -
+M  V30 CLASS=AA SAP=(3 5 1 Br) SAP=(3 12 2 Al) SAP=(3 6 3 Cx) 
+M  V30 END SGROUP
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 11)
+M  V30 END COLLECTION
+M  V30 END CTAB
+M  V30 TEMPLATE 3 AA/Gly/G/
+M  V30 BEGIN CTAB
+M  V30 COUNTS 6 5 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 N 3.676 -12.5274 0 0 CFG=3 
+M  V30 2 C 4.2675 -12.095 0 0 
+M  V30 3 O 4.8932 -13.2691 0 0 
+M  V30 4 C 4.8904 -12.5161 0 0 
+M  V30 5 O 5.1042 -12.5167 0 0 
+M  V30 6 H 3.4542 -12.5125 0 0 
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2 
+M  V30 2 1 2 4 
+M  V30 3 2 4 3 
+M  V30 4 1 4 5 
+M  V30 5 1 1 6 
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 5) XBONDS=(1 4) CSTATE=(4 4 -0.82 -0.01 0) LABEL=OH -
+M  V30 CLASS=LGRP 
+M  V30 2 SUP 2 ATOMS=(4 1 2 3 4) XBONDS=(2 4 5) CSTATE=(4 4 0.82 0.01 0) -
+M  V30 CSTATE=(4 5 -0.83 0.01 0) LABEL=G CLASS=AA SAP=(3 4 5 Br) -
+M  V30 SAP=(3 1 6 Al) 
+M  V30 3 SUP 3 ATOMS=(1 6) XBONDS=(1 5) CSTATE=(4 5 0.83 -0.01 0) LABEL=H -
+M  V30 CLASS=LGRP 
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 4 AA/His/H/
+M  V30 BEGIN CTAB
+M  V30 COUNTS 13 13 4 0 1
+M  V30 BEGIN ATOM
+M  V30 1 N 13.6621 -5.9337 0 0 
+M  V30 2 H 12.1156 -8.5455 0 0 
+M  V30 3 O 13.8674 -8.5328 0 0 
+M  V30 4 O 13.6279 -9.3828 0 0 
+M  V30 5 C 13.6279 -8.5328 0 0 
+M  V30 6 N 12.2569 -8.5455 0 0 CFG=3 
+M  V30 7 C 12.9246 -8.0574 0 0 CFG=1 
+M  V30 8 C 12.9246 -7.2051 0 0 
+M  V30 9 C 13.6621 -6.7803 0 0 
+M  V30 10 C 14.4645 -7.0501 0 0 
+M  V30 11 H 12.9332 -7.5261 0 0 
+M  V30 12 C 14.4785 -5.6803 0 0 
+M  V30 13 N 14.9691 -6.3703 0 0 CFG=3 
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 1 12 
+M  V30 2 1 9 1 
+M  V30 3 2 10 9 
+M  V30 4 1 13 10 
+M  V30 5 1 12 13 
+M  V30 6 1 6 2 
+M  V30 7 1 5 3 
+M  V30 8 1 13 11 
+M  V30 9 2 5 4 
+M  V30 10 1 7 5 
+M  V30 11 1 6 7 
+M  V30 12 1 7 8 CFG=1 
+M  V30 13 1 8 9 
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 2) XBONDS=(1 6) BRKXYZ=(9 -16.63 0.59 0 -16.62 -0.11 -
+M  V30 0 0 0 0) CSTATE=(4 6 0.83 0.01 0) LABEL=H CLASS=LGRP 
+M  V30 2 SUP 2 ATOMS=(1 3) XBONDS=(1 7) BRKXYZ=(9 -14.2 -0.09 0 -14.2 0.61 0 -
+M  V30 0 0 0) CSTATE=(4 7 -0.93 -0.01 0) LABEL=OH CLASS=LGRP 
+M  V30 3 SUP 3 ATOMS=(1 11) XBONDS=(1 8) BRKXYZ=(9 -13.87 2.71 0 -13.84 3.41 -
+M  V30 0 0 0 0) CSTATE=(4 8 0.01 -1.01 0) LABEL=H CLASS=LGRP 
+M  V30 4 SUP 4 ATOMS=(10 6 7 4 5 8 1 12 13 10 9) XBONDS=(3 7 8 6) BRKXYZ=(9 -
+M  V30 -14.39 0.61 0 -14.38 -0.09 0 0 0 0) BRKXYZ=(9 -12.94 2.75 0 -
+M  V30 -12.97 2.05 0 0 0 0) BRKXYZ=(9 -16.46 -0.11 0 -16.46 0.59 0 -
+M  V30 0 0 0) CSTATE=(4 7 0.93 0.01 0) CSTATE=(4 8 -0.01 1.01 0) -
+M  V30 CSTATE=(4 6 -0.83 -0.01 0) LABEL=H CLASS=AA SAP=(3 6 2 Al) -
+M  V30 SAP=(3 5 3 Br) SAP=(3 13 11 Cx) 
+M  V30 END SGROUP
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 7)
+M  V30 END COLLECTION
+M  V30 END CTAB
+M  V30 TEMPLATE 5 AA/Pro/P/
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 9 3 0 1
+M  V30 BEGIN ATOM
+M  V30 1 O 3.5033 -2.6912 0 0 
+M  V30 2 H 1.8241 -2.6775 0 0 
+M  V30 3 C 3.3512 -2.6646 0 0 
+M  V30 4 C 2.6882 -2.2195 0 0 CFG=2 
+M  V30 5 C 2.6882 -1.4139 0 0 
+M  V30 6 C 1.8317 -1.2885 0 0 
+M  V30 7 C 1.4465 -2.0649 0 0 
+M  V30 8 N 2.0634 -2.6791 0 0 CFG=3 
+M  V30 9 O 3.3512 -3.464 0 0 
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 3 1 
+M  V30 2 1 8 2 
+M  V30 3 1 4 3 
+M  V30 4 1 4 5 CFG=1 
+M  V30 5 1 6 5 
+M  V30 6 1 7 6 
+M  V30 7 1 7 8 
+M  V30 8 1 8 4 
+M  V30 9 2 3 9 
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 1) XBONDS=(1 1) BRKXYZ=(9 3.87 -2.87 0 3.88 -2.47 0 -
+M  V30 0 0 0) CSTATE=(4 1 -0.8 0.02 0) LABEL=OH CLASS=LGRP 
+M  V30 2 SUP 2 ATOMS=(1 2) XBONDS=(1 2) BRKXYZ=(9 1.46 -2.47 0 1.47 -2.88 0 -
+M  V30 0 0 0) CSTATE=(4 2 0.88 0.01 0) LABEL=H CLASS=LGRP 
+M  V30 3 SUP 3 ATOMS=(7 3 4 5 6 7 8 9) XBONDS=(2 2 1) BRKXYZ=(9 0.8 -3.9 0 -
+M  V30 0.8 -0.91 0 0 0 0) CSTATE=(4 2 -0.88 -0.01 0) CSTATE=(4 1 0.8 -
+M  V30 -0.02 0) LABEL=P CLASS=AA SAP=(3 8 2 Al) SAP=(3 3 1 Br) 
+M  V30 END SGROUP
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 4)
+M  V30 END COLLECTION
+M  V30 END CTAB
+M  V30 TEMPLATE 6 AA/Cys/C/
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 8 4 0 1
+M  V30 BEGIN ATOM
+M  V30 1 H 9.9063 -6.8946 0 0 
+M  V30 2 S 11.0183 -5.1898 0 0 
+M  V30 3 C 9.8926 -5.8385 0 0 
+M  V30 4 C 9.8926 -7.1376 0 0 CFG=1 
+M  V30 5 C 10.9757 -7.8552 0 0 
+M  V30 6 O 11.1331 -7.875 0 0 
+M  V30 7 O 10.9757 -9.1545 0 0 
+M  V30 8 N 8.8368 -7.8948 0 0 CFG=3 
+M  V30 9 H 8.633 -7.8748 0 0 
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 2 1 
+M  V30 2 1 3 2 
+M  V30 3 1 4 3 CFG=1 
+M  V30 4 1 4 5 
+M  V30 5 1 5 6 
+M  V30 6 2 5 7 
+M  V30 7 1 8 4 
+M  V30 8 1 8 9 
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(6 8 4 7 5 3 2) XBONDS=(3 8 5 1) CSTATE=(4 8 -1.27 0 0) -
+M  V30 CSTATE=(4 5 1.23 -0 0) CSTATE=(4 1 0 0.98 0) LABEL=C -
+M  V30 CLASS=AA SAP=(3 8 9 Al) SAP=(3 5 6 Br) SAP=(3 2 1 Cx) 
+M  V30 2 SUP 2 ATOMS=(1 1) XBONDS=(1 1) CSTATE=(4 1 -0 -0.98 0) LABEL=H -
+M  V30 CLASS=LGRP 
+M  V30 3 SUP 3 ATOMS=(1 6) XBONDS=(1 5) CSTATE=(4 5 -1.23 0 0) LABEL=OH -
+M  V30 CLASS=LGRP 
+M  V30 4 SUP 4 ATOMS=(1 9) XBONDS=(1 8) CSTATE=(4 8 1.27 -0 0) LABEL=H -
+M  V30 CLASS=LGRP 
+M  V30 END SGROUP
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 4)
+M  V30 END COLLECTION
+M  V30 END CTAB
+M  V30 END TEMPLATE
+M  END
diff --git a/Code/GraphMol/FileParsers/test_data/macromols/badMissingTemplate.mol b/Code/GraphMol/FileParsers/test_data/macromols/badMissingTemplate.mol
new file mode 100644
index 000000000..cc42210e7
--- /dev/null
+++ b/Code/GraphMol/FileParsers/test_data/macromols/badMissingTemplate.mol
@@ -0,0 +1,233 @@
+
+  ACCLDraw11122415482D
+
+  0  0  0     0  0            999 V3000
+M  V30 BEGIN CTAB
+M  V30 COUNTS 8 7 1 0 1
+M  V30 BEGIN ATOM
+M  V30 1 Ala 1.6016 -11.5026 0 0 CLASS=AA ATTCHORD=(2 2 Br) SEQID=1 
+M  V30 2 Glu 2.5464 -11.5026 0 0 CLASS=AA ATTCHORD=(4 3 Br 1 Al) SEQID=2 
+M  V30 3 Gly 3.4913 -11.5026 0 0 CLASS=AA ATTCHORD=(4 8 Br 2 Al) SEQID=3 
+M  V30 4 His 5.3811 -11.5026 0 0 CLASS=AA ATTCHORD=(4 8 Al 5 Br) SEQID=5 
+M  V30 5 His 6.326 -11.5026 0 0 CLASS=AA ATTCHORD=(4 4 Al 7 Br) SEQID=6 
+M  V30 6 Pro 8.2157 -11.5026 0 0 CLASS=AA ATTCHORD=(2 7 Al) SEQID=8 
+M  V30 7 Cys 7.2709 -11.5026 0 0 CLASS=AA ATTCHORD=(4 5 Al 6 Br) SEQID=7 
+M  V30 8 Cys 4.4362 -11.5026 0 0 CLASS=AA ATTCHORD=(4 3 Al 4 Br) SEQID=4 
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 2 1 
+M  V30 2 1 2 3 
+M  V30 3 1 8 3 
+M  V30 4 1 4 8 
+M  V30 5 1 5 4 
+M  V30 6 1 5 7 
+M  V30 7 1 7 6 
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 DAT 1 ATOMS=(1 1) FIELDNAME="SMMX:sequence position data" -
+M  V30 FIELDDISP="    1.6016  -11.5026    DA    ALL  1     " 
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 2 AA/Glu/E/
+M  V30 BEGIN CTAB
+M  V30 COUNTS 12 11 4 0 1
+M  V30 BEGIN ATOM
+M  V30 1 O 11.8895 -7.3751 0 0 
+M  V30 2 H 9.8607 -7.3749 0 0 
+M  V30 3 H 10.9063 -6.5064 0 0 
+M  V30 4 O 11.929 -8.5562 0 0 
+M  V30 5 C 11.929 -7.3751 0 0 
+M  V30 6 O 10.9061 -3.241 0 0 
+M  V30 7 O 12.952 -3.241 0 0 
+M  V30 8 C 11.929 -3.8316 0 0 
+M  V30 9 C 11.929 -5.0128 0 0 
+M  V30 10 C 10.9061 -5.6034 0 0 
+M  V30 11 C 10.9061 -6.7845 0 0 CFG=2 
+M  V30 12 N 9.8835 -7.3749 0 0 CFG=3 
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 5 4 
+M  V30 2 1 5 1 
+M  V30 3 1 6 3 
+M  V30 4 2 8 7 
+M  V30 5 1 8 6 
+M  V30 6 1 9 8 
+M  V30 7 1 10 9 
+M  V30 8 1 11 10 CFG=1 
+M  V30 9 1 11 5 
+M  V30 10 1 12 11 
+M  V30 11 1 12 2 
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 3) XBONDS=(1 3) CSTATE=(4 3 -0 -0.87 0) LABEL=H -
+M  V30 CLASS=LGRP 
+M  V30 2 SUP 2 ATOMS=(1 2) XBONDS=(1 11) CSTATE=(4 11 1.05 -0 0) LABEL=H -
+M  V30 CLASS=LGRP 
+M  V30 3 SUP 3 ATOMS=(1 1) XBONDS=(1 2) CSTATE=(4 2 -0.98 0 0) LABEL=OH -
+M  V30 CLASS=LGRP 
+M  V30 4 SUP 4 ATOMS=(9 12 11 10 5 9 8 7 6 4) XBONDS=(3 3 11 2) CSTATE=(4 3 0 -
+M  V30 0.87 0) CSTATE=(4 11 -1.05 0 0) CSTATE=(4 2 0.98 -0 0) LABEL=E -
+M  V30 CLASS=AA SAP=(3 5 1 Br) SAP=(3 12 2 Al) SAP=(3 6 3 Cx) 
+M  V30 END SGROUP
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 11)
+M  V30 END COLLECTION
+M  V30 END CTAB
+M  V30 TEMPLATE 3 AA/Gly/G/
+M  V30 BEGIN CTAB
+M  V30 COUNTS 6 5 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 N 3.676 -12.5274 0 0 CFG=3 
+M  V30 2 C 4.2675 -12.095 0 0 
+M  V30 3 O 4.8932 -13.2691 0 0 
+M  V30 4 C 4.8904 -12.5161 0 0 
+M  V30 5 O 5.1042 -12.5167 0 0 
+M  V30 6 H 3.4542 -12.5125 0 0 
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2 
+M  V30 2 1 2 4 
+M  V30 3 2 4 3 
+M  V30 4 1 4 5 
+M  V30 5 1 1 6 
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 5) XBONDS=(1 4) CSTATE=(4 4 -0.82 -0.01 0) LABEL=OH -
+M  V30 CLASS=LGRP 
+M  V30 2 SUP 2 ATOMS=(4 1 2 3 4) XBONDS=(2 4 5) CSTATE=(4 4 0.82 0.01 0) -
+M  V30 CSTATE=(4 5 -0.83 0.01 0) LABEL=G CLASS=AA SAP=(3 4 5 Br) -
+M  V30 SAP=(3 1 6 Al) 
+M  V30 3 SUP 3 ATOMS=(1 6) XBONDS=(1 5) CSTATE=(4 5 0.83 -0.01 0) LABEL=H -
+M  V30 CLASS=LGRP 
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 4 AA/His/H/
+M  V30 BEGIN CTAB
+M  V30 COUNTS 13 13 4 0 1
+M  V30 BEGIN ATOM
+M  V30 1 N 13.6621 -5.9337 0 0 
+M  V30 2 H 12.1156 -8.5455 0 0 
+M  V30 3 O 13.8674 -8.5328 0 0 
+M  V30 4 O 13.6279 -9.3828 0 0 
+M  V30 5 C 13.6279 -8.5328 0 0 
+M  V30 6 N 12.2569 -8.5455 0 0 CFG=3 
+M  V30 7 C 12.9246 -8.0574 0 0 CFG=1 
+M  V30 8 C 12.9246 -7.2051 0 0 
+M  V30 9 C 13.6621 -6.7803 0 0 
+M  V30 10 C 14.4645 -7.0501 0 0 
+M  V30 11 H 12.9332 -7.5261 0 0 
+M  V30 12 C 14.4785 -5.6803 0 0 
+M  V30 13 N 14.9691 -6.3703 0 0 CFG=3 
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 1 12 
+M  V30 2 1 9 1 
+M  V30 3 2 10 9 
+M  V30 4 1 13 10 
+M  V30 5 1 12 13 
+M  V30 6 1 6 2 
+M  V30 7 1 5 3 
+M  V30 8 1 13 11 
+M  V30 9 2 5 4 
+M  V30 10 1 7 5 
+M  V30 11 1 6 7 
+M  V30 12 1 7 8 CFG=1 
+M  V30 13 1 8 9 
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 2) XBONDS=(1 6) BRKXYZ=(9 -16.63 0.59 0 -16.62 -0.11 -
+M  V30 0 0 0 0) CSTATE=(4 6 0.83 0.01 0) LABEL=H CLASS=LGRP 
+M  V30 2 SUP 2 ATOMS=(1 3) XBONDS=(1 7) BRKXYZ=(9 -14.2 -0.09 0 -14.2 0.61 0 -
+M  V30 0 0 0) CSTATE=(4 7 -0.93 -0.01 0) LABEL=OH CLASS=LGRP 
+M  V30 3 SUP 3 ATOMS=(1 11) XBONDS=(1 8) BRKXYZ=(9 -13.87 2.71 0 -13.84 3.41 -
+M  V30 0 0 0 0) CSTATE=(4 8 0.01 -1.01 0) LABEL=H CLASS=LGRP 
+M  V30 4 SUP 4 ATOMS=(10 6 7 4 5 8 1 12 13 10 9) XBONDS=(3 7 8 6) BRKXYZ=(9 -
+M  V30 -14.39 0.61 0 -14.38 -0.09 0 0 0 0) BRKXYZ=(9 -12.94 2.75 0 -
+M  V30 -12.97 2.05 0 0 0 0) BRKXYZ=(9 -16.46 -0.11 0 -16.46 0.59 0 -
+M  V30 0 0 0) CSTATE=(4 7 0.93 0.01 0) CSTATE=(4 8 -0.01 1.01 0) -
+M  V30 CSTATE=(4 6 -0.83 -0.01 0) LABEL=H CLASS=AA SAP=(3 6 2 Al) -
+M  V30 SAP=(3 5 3 Br) SAP=(3 13 11 Cx) 
+M  V30 END SGROUP
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 7)
+M  V30 END COLLECTION
+M  V30 END CTAB
+M  V30 TEMPLATE 5 AA/Pro/P/
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 9 3 0 1
+M  V30 BEGIN ATOM
+M  V30 1 O 3.5033 -2.6912 0 0 
+M  V30 2 H 1.8241 -2.6775 0 0 
+M  V30 3 C 3.3512 -2.6646 0 0 
+M  V30 4 C 2.6882 -2.2195 0 0 CFG=2 
+M  V30 5 C 2.6882 -1.4139 0 0 
+M  V30 6 C 1.8317 -1.2885 0 0 
+M  V30 7 C 1.4465 -2.0649 0 0 
+M  V30 8 N 2.0634 -2.6791 0 0 CFG=3 
+M  V30 9 O 3.3512 -3.464 0 0 
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 3 1 
+M  V30 2 1 8 2 
+M  V30 3 1 4 3 
+M  V30 4 1 4 5 CFG=1 
+M  V30 5 1 6 5 
+M  V30 6 1 7 6 
+M  V30 7 1 7 8 
+M  V30 8 1 8 4 
+M  V30 9 2 3 9 
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 1) XBONDS=(1 1) BRKXYZ=(9 3.87 -2.87 0 3.88 -2.47 0 -
+M  V30 0 0 0) CSTATE=(4 1 -0.8 0.02 0) LABEL=OH CLASS=LGRP 
+M  V30 2 SUP 2 ATOMS=(1 2) XBONDS=(1 2) BRKXYZ=(9 1.46 -2.47 0 1.47 -2.88 0 -
+M  V30 0 0 0) CSTATE=(4 2 0.88 0.01 0) LABEL=H CLASS=LGRP 
+M  V30 3 SUP 3 ATOMS=(7 3 4 5 6 7 8 9) XBONDS=(2 2 1) BRKXYZ=(9 0.8 -3.9 0 -
+M  V30 0.8 -0.91 0 0 0 0) CSTATE=(4 2 -0.88 -0.01 0) CSTATE=(4 1 0.8 -
+M  V30 -0.02 0) LABEL=P CLASS=AA SAP=(3 8 2 Al) SAP=(3 3 1 Br) 
+M  V30 END SGROUP
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 4)
+M  V30 END COLLECTION
+M  V30 END CTAB
+M  V30 TEMPLATE 6 AA/Cys/C/
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 8 4 0 1
+M  V30 BEGIN ATOM
+M  V30 1 H 9.9063 -6.8946 0 0 
+M  V30 2 S 11.0183 -5.1898 0 0 
+M  V30 3 C 9.8926 -5.8385 0 0 
+M  V30 4 C 9.8926 -7.1376 0 0 CFG=1 
+M  V30 5 C 10.9757 -7.8552 0 0 
+M  V30 6 O 11.1331 -7.875 0 0 
+M  V30 7 O 10.9757 -9.1545 0 0 
+M  V30 8 N 8.8368 -7.8948 0 0 CFG=3 
+M  V30 9 H 8.633 -7.8748 0 0 
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 2 1 
+M  V30 2 1 3 2 
+M  V30 3 1 4 3 CFG=1 
+M  V30 4 1 4 5 
+M  V30 5 1 5 6 
+M  V30 6 2 5 7 
+M  V30 7 1 8 4 
+M  V30 8 1 8 9 
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(6 8 4 7 5 3 2) XBONDS=(3 8 5 1) CSTATE=(4 8 -1.27 0 0) -
+M  V30 CSTATE=(4 5 1.23 -0 0) CSTATE=(4 1 0 0.98 0) LABEL=C -
+M  V30 CLASS=AA SAP=(3 8 9 Al) SAP=(3 5 6 Br) SAP=(3 2 1 Cx) 
+M  V30 2 SUP 2 ATOMS=(1 1) XBONDS=(1 1) CSTATE=(4 1 -0 -0.98 0) LABEL=H -
+M  V30 CLASS=LGRP 
+M  V30 3 SUP 3 ATOMS=(1 6) XBONDS=(1 5) CSTATE=(4 5 -1.23 0 0) LABEL=OH -
+M  V30 CLASS=LGRP 
+M  V30 4 SUP 4 ATOMS=(1 9) XBONDS=(1 8) CSTATE=(4 8 1.27 -0 0) LABEL=H -
+M  V30 CLASS=LGRP 
+M  V30 END SGROUP
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 4)
+M  V30 END COLLECTION
+M  V30 END CTAB
+M  V30 END TEMPLATE
+M  END
diff --git a/Code/GraphMol/FileParsers/test_data/macromols/cyclic.mol b/Code/GraphMol/FileParsers/test_data/macromols/cyclic.mol
new file mode 100644
index 000000000..8f1e45bf4
--- /dev/null
+++ b/Code/GraphMol/FileParsers/test_data/macromols/cyclic.mol
@@ -0,0 +1,221 @@
+
+  -INDIGO-12312410052D
+
+  0  0  0  0  0  0  0  0  0  0  0 V3000
+M  V30 BEGIN CTAB
+M  V30 COUNTS 8 9 0 0 0
+M  V30 BEGIN ATOM
+M  V30 1 A 1.025 -2.875 0.0 0 CLASS=AA SEQID=8 ATTCHORD=(4 8 Al 2 Br)
+M  V30 2 G 1.25 -1.25 0.0 0 CLASS=AA SEQID=1 ATTCHORD=(4 3 Br 1 Al)
+M  V30 3 G 2.75 -1.25 0.0 0 CLASS=AA SEQID=2 ATTCHORD=(4 2 Al 4 Br)
+M  V30 4 C 4.25 -1.25 0.0 0 CLASS=AA SEQID=3 ATTCHORD=(6 3 Al 5 Br 7 Cx)
+M  V30 5 L 5.75 -1.25 0.0 0 CLASS=AA SEQID=4 ATTCHORD=(4 4 Al 6 Br)
+M  V30 6 P 5.825 -2.8 0.0 0 CLASS=AA SEQID=5 ATTCHORD=(4 5 Al 7 Br)
+M  V30 7 C 4.225 -2.925 0.0 0 CLASS=AA SEQID=6 ATTCHORD=(6 6 Al 8 Br 4 Cx)
+M  V30 8 A 2.475 -2.975 0.0 0 CLASS=AA SEQID=7 ATTCHORD=(4 7 Al 1 Br)
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 2 3
+M  V30 2 1 3 4
+M  V30 3 1 4 5
+M  V30 4 1 5 6
+M  V30 5 1 6 7
+M  V30 6 1 7 8
+M  V30 7 1 8 1
+M  V30 8 1 4 7
+M  V30 9 1 1 2
+M  V30 END BOND
+M  V30 END CTAB
+M  V30 BEGIN TEMPLATE
+M  V30 TEMPLATE 1 AA/Ala/A/ NATREPLACE=AA/A
+M  V30 BEGIN CTAB
+M  V30 COUNTS 7 6 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 N -1.2549 -0.392 0.0 0
+M  V30 2 C -0.272 0.2633 0.0 0 CFG=1
+M  V30 3 C -0.3103 1.7393 0.0 0
+M  V30 4 C 1.0523 -0.392 0.0 0
+M  V30 5 O 1.0829 -1.5722 0.0 0
+M  V30 6 O 2.0353 0.2633 0.0 0
+M  V30 7 H -2.3334 0.0905 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 2 1
+M  V30 2 1 2 3 CFG=1
+M  V30 3 1 2 4
+M  V30 4 2 4 5
+M  V30 5 1 4 6
+M  V30 6 1 1 7
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 2)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 7) XBONDS=(1 6) BRKXYZ=(9 0.539250 -0.241250 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 6) XBONDS=(1 5) BRKXYZ=(9 -0.491500 -0.327650 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(5 1 2 3 4 5) XBONDS=(2 6 5) BRKXYZ=(9 -0.539250 0.24125-
+M  V30 0 0.000000 0.491500 0.327650 0.000000 0.000000 0.000000 0.000000) LABE-
+M  V30 L=A CLASS=AA SAP=(3 1 7 Al) SAP=(3 4 6 Br) NATREPLACE=AA/A
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 2 AA/Gly/G/ NATREPLACE=AA/G
+M  V30 BEGIN CTAB
+M  V30 COUNTS 6 5 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C -0.3363 0.5346 0.0 0
+M  V30 2 C 0.9929 -0.1107 0.0 0
+M  V30 3 O 1.0782 -1.289 0.0 0
+M  V30 4 O 1.9709 0.552 0.0 0
+M  V30 5 N -1.326 -0.1107 0.0 0
+M  V30 6 H -2.3797 0.4238 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 2 2 3
+M  V30 3 1 2 4
+M  V30 4 1 1 5
+M  V30 5 1 5 6
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 6) XBONDS=(1 5) BRKXYZ=(9 0.526850 -0.267250 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 4) XBONDS=(1 3) BRKXYZ=(9 -0.489000 -0.331350 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(4 1 2 3 5) XBONDS=(2 3 5) BRKXYZ=(9 0.489000 0.331350 0-
+M  V30 .000000 -0.526850 0.267250 0.000000 0.000000 0.000000 0.000000) LABEL=-
+M  V30 G CLASS=AA SAP=(3 5 6 Al) SAP=(3 2 4 Br) NATREPLACE=AA/G
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 3 AA/Cys/C/ NATREPLACE=AA/C
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 8 4 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.4457 -1.1333 0.0 0
+M  V30 2 C 0.1453 -0.384 0.0 0 CFG=2
+M  V30 3 C 0.143 1.1168 0.0 0
+M  V30 4 S -1.1573 1.8661 0.0 0
+M  V30 5 N -1.1551 -1.1333 0.0 0
+M  V30 6 O 1.4475 -2.3333 0.0 0
+M  V30 7 O 2.4842 -0.532 0.0 0
+M  V30 8 H -2.1942 -0.5331 0.0 0
+M  V30 9 H -1.1591 3.0661 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 6 1
+M  V30 2 1 1 2
+M  V30 3 1 1 7
+M  V30 4 1 2 5
+M  V30 5 1 2 3 CFG=1
+M  V30 6 1 3 4
+M  V30 7 1 5 8
+M  V30 8 1 4 9
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 2)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 8) XBONDS=(1 7) BRKXYZ=(9 0.519550 -0.300100 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 7) XBONDS=(1 3) BRKXYZ=(9 -0.519250 -0.300650 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(1 9) XBONDS=(1 8) BRKXYZ=(9 0.000900 -0.600000 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 4 SUP 4 ATOMS=(6 1 2 3 4 5 6) XBONDS=(3 3 8 7) BRKXYZ=(9 0.519250 0.30-
+M  V30 0650 0.000000 -0.000900 0.600000 0.000000 0.000000 0.000000 0.000000) -
+M  V30 BRKXYZ=(9 -0.519550 0.300100 0.000000 0.000000 0.000000 0.000000 0.000-
+M  V30 000 0.000000 0.000000) LABEL=C CLASS=AA SAP=(3 5 8 Al) SAP=(3 1 7 Br) -
+M  V30 SAP=(3 4 9 Cx) NATREPLACE=AA/C
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 4 AA/Leu/L/ NATREPLACE=AA/L
+M  V30 BEGIN CTAB
+M  V30 COUNTS 10 9 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 0.3626 0.9903 0.0 0
+M  V30 2 C -0.9395 2.9396 0.0 0
+M  V30 3 C -0.9377 1.7396 0.0 0
+M  V30 4 C -1.9763 1.1383 0.0 0
+M  V30 5 C 0.3649 -0.5105 0.0 0 CFG=1
+M  V30 6 C 1.6653 -1.2598 0.0 0
+M  V30 7 O 1.6671 -2.4598 0.0 0
+M  V30 8 N -0.9355 -1.2598 0.0 0
+M  V30 9 O 2.7038 -0.6585 0.0 0
+M  V30 10 H -1.9746 -0.6596 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 3 1
+M  V30 2 1 5 1 CFG=1
+M  V30 3 1 3 2
+M  V30 4 1 3 4
+M  V30 5 1 5 8
+M  V30 6 1 5 6
+M  V30 7 2 6 7
+M  V30 8 1 6 9
+M  V30 9 1 8 10
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 5)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 10) XBONDS=(1 9) BRKXYZ=(9 0.519550 -0.300100 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS-
+M  V30 =LGRP
+M  V30 2 SUP 2 ATOMS=(1 9) XBONDS=(1 8) BRKXYZ=(9 -0.519250 -0.300650 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(8 1 2 3 4 5 6 7 8) XBONDS=(2 8 9) BRKXYZ=(9 0.519250 0.-
+M  V30 300650 0.000000 -0.519550 0.300100 0.000000 0.000000 0.000000 0.000000-
+M  V30 ) LABEL=L CLASS=AA SAP=(3 8 10 Al) SAP=(3 6 9 Br) NATREPLACE=AA/L
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 5 AA/Pro/P/ NATREPLACE=AA/P
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 9 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 0.0018 1.6555 0.0 0
+M  V30 2 C -1.4799 1.889 0.0 0
+M  V30 3 C -2.1599 0.5519 0.0 0
+M  V30 4 N -1.0984 -0.5079 0.0 0
+M  V30 5 C 0.2376 0.1741 0.0 0 CFG=2
+M  V30 6 C 1.5717 -0.5079 0.0 0
+M  V30 7 O 1.6336 -1.7063 0.0 0
+M  V30 8 O 2.5787 0.1448 0.0 0
+M  V30 9 H -1.2852 -1.6933 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 1 5 1 CFG=1
+M  V30 3 1 2 3
+M  V30 4 1 3 4
+M  V30 5 1 4 5
+M  V30 6 1 5 6
+M  V30 7 2 6 7
+M  V30 8 1 6 8
+M  V30 9 1 4 9
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 5)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 9) XBONDS=(1 9) BRKXYZ=(9 0.093400 0.592700 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=L-
+M  V30 GRP
+M  V30 2 SUP 2 ATOMS=(1 8) XBONDS=(1 8) BRKXYZ=(9 -0.503500 -0.326350 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(7 1 2 3 4 5 6 7) XBONDS=(2 9 8) BRKXYZ=(9 -0.093400 -0.-
+M  V30 592700 0.000000 0.503500 0.326350 0.000000 0.000000 0.000000 0.000000)-
+M  V30  LABEL=P CLASS=AA SAP=(3 4 9 Al) SAP=(3 6 8 Br) NATREPLACE=AA/P
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 END TEMPLATE
+M  END
diff --git a/Code/GraphMol/FileParsers/test_data/macromols/obj3dFoundTwice.mol b/Code/GraphMol/FileParsers/test_data/macromols/obj3dFoundTwice.mol
new file mode 100644
index 000000000..5371b7200
--- /dev/null
+++ b/Code/GraphMol/FileParsers/test_data/macromols/obj3dFoundTwice.mol
@@ -0,0 +1,143 @@
+1 A G meS A G
+ACCLDraw03281611052D
+
+  0  0  0     0  0            999 V3000
+M  V30 BEGIN CTAB
+M  V30 COUNTS 5 4 1 0 1
+M  V30 BEGIN ATOM
+M  V30 1 Ala 1.5563 -9.2328 0 0 CLASS=AA ATTCHORD=(2 2 Br) SEQID=1
+M  V30 2 Gly 2.7137 -9.23 0 0 CLASS=AA ATTCHORD=(4 3 Br 1 Al) SEQID=2
+M  V30 3 meS 3.8712 -9.23 0 0 CLASS=AA ATTCHORD=(4 4 Br 2 Al) SEQID=3
+M  V30 4 Ala 5.4539 -9.23 0 0 CLASS=AA ATTCHORD=(4 3 Al 5 Br) SEQID=4
+M  V30 5 Gly 6.6114 -9.23 0 0 CLASS=AA ATTCHORD=(2 4 Al) SEQID=5
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 2 1
+M  V30 2 1 3 2
+M  V30 3 1 4 3
+M  V30 4 1 5 4
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 DAT 1 ATOMS=(1 1) FIELDNAME="SMMX:sequence position data" -
+M  V30 FIELDDISP=" 1.5563 -9.2328 DA ALL 1 "
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 BEGIN TEMPLATE
+M  V30 TEMPLATE 1 AA/Ala/A/
+M  V30 BEGIN CTAB
+M  V30 COUNTS 7 6 3 7 1
+M  V30 BEGIN ATOM
+M  V30 1 O 6.6266 -2.0662 0 0
+M  V30 2 H 5.0016 -2.0876 0 0
+M  V30 3 N 5.1358 -2.0784 0 0 CFG=3
+M  V30 4 C 5.7844 -1.5983 0 0 CFG=2
+M  V30 5 C 6.4753 -2.0653 0 0
+M  V30 6 O 6.4753 -2.8977 0 0
+M  V30 7 C 5.7844 -0.7662 0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 3 4
+M  V30 2 1 4 5
+M  V30 3 2 5 6
+M  V30 4 1 4 7 CFG=1
+M  V30 5 1 3 2
+M  V30 6 1 5 1
+M  V30 END BOND
+M  V30 BEGIN OBJ3D
+M  V30 1 -7 6 "" 0 0 BASIS=(3 6 4 2)
+M  V30 2 -5 13 "" 0 0 BASIS=(6 1 2 3 4 5 6)
+M  V30 3 -8 7 "" 0 0 BASIS=(2 O3D.1 O3D.2)
+M  V30 4 -3 6 "" -2 0 BASIS=(2 O3D.1 O3D.3) PNTDIR=1
+M  V30 5 -16 12 "" 1.5 0 BASIS=(1 O3D.4) UNCONNOK=1
+M  V30 6 -12 10 "" 75 105 BASIS=(3 O3D.4 O3D.1 7)
+M  V30 7 -9 3 "" 4.4 5.7 BASIS=(2 7 O3D.1)
+M  V30 END OBJ3D
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 1) XBONDS=(1 6) BRKXYZ=(9 7.02 -2.26 0 7.02 -1.85 0 -
+M  V30 0 0 0) CSTATE=(4 6 -0.82 -0.01 0) LABEL=OH CLASS=LGRP
+M  V30 2 SUP 2 ATOMS=(1 2) XBONDS=(1 5) BRKXYZ=(9 4.58 -1.87 0 4.6 -2.28 0 -
+M  V30 0 0 0) CSTATE=(4 5 0.8 0.02 0) LABEL=H CLASS=LGRP
+M  V30 3 SUP 3 ATOMS=(5 3 4 5 6 7) XBONDS=(2 5 6) BRKXYZ=(9 3.95 -3.33 0 3.95 -
+M  V30 -0.38 0 0 0 0) CSTATE=(4 5 -0.8 -0.02 0) CSTATE=(4 6 0.82 0.01 -
+M  V30 0) LABEL=A CLASS=AA SAP=(3 3 2 Al) SAP=(3 5 1 Br)
+M  V30 END SGROUP
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 4)
+M  V30 END COLLECTION
+M  V30 BEGIN OBJ3D
+M  V30 1 -7 6 "" 0 0 BASIS=(3 6 4 2)
+M  V30 2 -5 13 "" 0 0 BASIS=(6 1 2 3 4 5 6)
+M  V30 3 -8 7 "" 0 0 BASIS=(2 O3D.1 O3D.2)
+M  V30 4 -3 6 "" -2 0 BASIS=(2 O3D.1 O3D.3) PNTDIR=1
+M  V30 5 -16 12 "" 1.5 0 BASIS=(1 O3D.4) UNCONNOK=1
+M  V30 6 -12 10 "" 75 105 BASIS=(3 O3D.4 O3D.1 7)
+M  V30 7 -9 3 "" 4.4 5.7 BASIS=(2 7 O3D.1)
+M  V30 END OBJ3D
+M  V30 END CTAB
+M  V30 TEMPLATE 2 AA/Gly/G/
+M  V30 BEGIN CTAB
+M  V30 COUNTS 6 5 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 N 3.676 -12.5274 0 0 CFG=3
+M  V30 2 C 4.2675 -12.095 0 0
+M  V30 3 O 4.8932 -13.2691 0 0
+M  V30 4 C 4.8904 -12.5161 0 0
+M  V30 5 O 5.1042 -12.5167 0 0
+M  V30 6 H 3.4542 -12.5125 0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 1 2 4
+M  V30 3 2 4 3
+M  V30 4 1 4 5
+M  V30 5 1 1 6
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 5) XBONDS=(1 4) CSTATE=(4 4 -0.82 -0.01 0) LABEL=OH -
+M  V30 CLASS=LGRP
+M  V30 2 SUP 2 ATOMS=(4 1 2 3 4) XBONDS=(2 4 5) CSTATE=(4 4 0.82 0.01 0) -
+M  V30 CSTATE=(4 5 -0.83 0.01 0) LABEL=G CLASS=AA SAP=(3 4 5 Br) -
+M  V30 SAP=(3 1 6 Al)
+M  V30 3 SUP 3 ATOMS=(1 6) XBONDS=(1 5) CSTATE=(4 5 0.83 -0.01 0) LABEL=H -
+M  V30 CLASS=LGRP
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 3 AA/meS/meS/ NATREPLACE=AA/S
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 8 3 0 1
+M  V30 BEGIN ATOM
+M  V30 1 C 9.9525 -5.6641 0 0
+M  V30 2 O 9.9451 -6.8641 0 0
+M  V30 3 N 7.3518 -5.6442 0 0 CFG=3
+M  V30 4 C 8.6579 -4.9049 0 0 CFG=1
+M  V30 5 C 8.6671 -3.4041 0 0
+M  V30 6 O 7.6319 -2.7971 0 0
+M  V30 7 C 6.3173 -5.0361 0 0
+M  V30 8 O 10.8217 -5.1697 0 0
+M  V30 9 H 7.3436 -6.6442 0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 2 1
+M  V30 2 1 1 4
+M  V30 3 1 4 3
+M  V30 4 1 4 5 CFG=1
+M  V30 5 1 5 6
+M  V30 6 1 3 7
+M  V30 7 1 1 8
+M  V30 8 1 3 9
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(7 1 2 3 4 5 6 7) XBONDS=(2 7 8) CSTATE=(4 7 2.17 0.48 -
+M  V30 0) CSTATE=(4 8 -1.31 -0.99 0) LABEL=meS CLASS=AA SAP=(3 1 8 Br) -
+M  V30 SAP=(3 3 9 Al) NATREPLACE=AA/S
+M  V30 2 SUP 2 ATOMS=(1 8) XBONDS=(1 7) CSTATE=(4 7 -2.17 -0.48 0) LABEL=OH -
+M  V30 CLASS=LGRP
+M  V30 3 SUP 3 ATOMS=(1 9) XBONDS=(1 8) CSTATE=(4 8 1.31 0.99 0) LABEL=H -
+M  V30 CLASS=LGRP
+M  V30 END SGROUP
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 4)
+M  V30 END COLLECTION
+M  V30 END CTAB
+M  V30 END TEMPLATE
+M  END
diff --git a/Code/GraphMol/FileParsers/test_data/macromols/obj3dTest.mol b/Code/GraphMol/FileParsers/test_data/macromols/obj3dTest.mol
new file mode 100644
index 000000000..6335cdb61
--- /dev/null
+++ b/Code/GraphMol/FileParsers/test_data/macromols/obj3dTest.mol
@@ -0,0 +1,134 @@
+1 A G meS A G
+ACCLDraw03281611052D
+
+  0  0  0     0  0            999 V3000
+M  V30 BEGIN CTAB
+M  V30 COUNTS 5 4 1 0 1
+M  V30 BEGIN ATOM
+M  V30 1 Ala 1.5563 -9.2328 0 0 CLASS=AA ATTCHORD=(2 2 Br) SEQID=1
+M  V30 2 Gly 2.7137 -9.23 0 0 CLASS=AA ATTCHORD=(4 3 Br 1 Al) SEQID=2
+M  V30 3 meS 3.8712 -9.23 0 0 CLASS=AA ATTCHORD=(4 4 Br 2 Al) SEQID=3
+M  V30 4 Ala 5.4539 -9.23 0 0 CLASS=AA ATTCHORD=(4 3 Al 5 Br) SEQID=4
+M  V30 5 Gly 6.6114 -9.23 0 0 CLASS=AA ATTCHORD=(2 4 Al) SEQID=5
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 2 1
+M  V30 2 1 3 2
+M  V30 3 1 4 3
+M  V30 4 1 5 4
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 DAT 1 ATOMS=(1 1) FIELDNAME="SMMX:sequence position data" -
+M  V30 FIELDDISP=" 1.5563 -9.2328 DA ALL 1 "
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 BEGIN TEMPLATE
+M  V30 TEMPLATE 1 AA/Ala/A/
+M  V30 BEGIN CTAB
+M  V30 COUNTS 7 6 3 7 1
+M  V30 BEGIN ATOM
+M  V30 1 O 6.6266 -2.0662 0 0
+M  V30 2 H 5.0016 -2.0876 0 0
+M  V30 3 N 5.1358 -2.0784 0 0 CFG=3
+M  V30 4 C 5.7844 -1.5983 0 0 CFG=2
+M  V30 5 C 6.4753 -2.0653 0 0
+M  V30 6 O 6.4753 -2.8977 0 0
+M  V30 7 C 5.7844 -0.7662 0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 3 4
+M  V30 2 1 4 5
+M  V30 3 2 5 6
+M  V30 4 1 4 7 CFG=1
+M  V30 5 1 3 2
+M  V30 6 1 5 1
+M  V30 END BOND
+M  V30 BEGIN OBJ3D
+M  V30 1 -7 6 "" 0 0 BASIS=(3 6 4 2)
+M  V30 2 -5 13 "" 0 0 BASIS=(6 1 2 3 4 5 6)
+M  V30 3 -8 7 "" 0 0 BASIS=(2 O3D.1 O3D.2)
+M  V30 4 -3 6 "" -2 0 BASIS=(2 O3D.1 O3D.3) PNTDIR=1
+M  V30 5 -16 12 "" 1.5 0 BASIS=(1 O3D.4) UNCONNOK=1
+M  V30 6 -12 10 "" 75 105 BASIS=(3 O3D.4 O3D.1 7)
+M  V30 7 -9 3 "" 4.4 5.7 BASIS=(2 7 O3D.1)
+M  V30 END OBJ3D
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 1) XBONDS=(1 6) BRKXYZ=(9 7.02 -2.26 0 7.02 -1.85 0 -
+M  V30 0 0 0) CSTATE=(4 6 -0.82 -0.01 0) LABEL=OH CLASS=LGRP
+M  V30 2 SUP 2 ATOMS=(1 2) XBONDS=(1 5) BRKXYZ=(9 4.58 -1.87 0 4.6 -2.28 0 -
+M  V30 0 0 0) CSTATE=(4 5 0.8 0.02 0) LABEL=H CLASS=LGRP
+M  V30 3 SUP 3 ATOMS=(5 3 4 5 6 7) XBONDS=(2 5 6) BRKXYZ=(9 3.95 -3.33 0 3.95 -
+M  V30 -0.38 0 0 0 0) CSTATE=(4 5 -0.8 -0.02 0) CSTATE=(4 6 0.82 0.01 -
+M  V30 0) LABEL=A CLASS=AA SAP=(3 3 2 Al) SAP=(3 5 1 Br)
+M  V30 END SGROUP
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 4)
+M  V30 END COLLECTION
+M  V30 END CTAB
+M  V30 TEMPLATE 2 AA/Gly/G/
+M  V30 BEGIN CTAB
+M  V30 COUNTS 6 5 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 N 3.676 -12.5274 0 0 CFG=3
+M  V30 2 C 4.2675 -12.095 0 0
+M  V30 3 O 4.8932 -13.2691 0 0
+M  V30 4 C 4.8904 -12.5161 0 0
+M  V30 5 O 5.1042 -12.5167 0 0
+M  V30 6 H 3.4542 -12.5125 0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 1 2 4
+M  V30 3 2 4 3
+M  V30 4 1 4 5
+M  V30 5 1 1 6
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 5) XBONDS=(1 4) CSTATE=(4 4 -0.82 -0.01 0) LABEL=OH -
+M  V30 CLASS=LGRP
+M  V30 2 SUP 2 ATOMS=(4 1 2 3 4) XBONDS=(2 4 5) CSTATE=(4 4 0.82 0.01 0) -
+M  V30 CSTATE=(4 5 -0.83 0.01 0) LABEL=G CLASS=AA SAP=(3 4 5 Br) -
+M  V30 SAP=(3 1 6 Al)
+M  V30 3 SUP 3 ATOMS=(1 6) XBONDS=(1 5) CSTATE=(4 5 0.83 -0.01 0) LABEL=H -
+M  V30 CLASS=LGRP
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 3 AA/meS/meS/ NATREPLACE=AA/S
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 8 3 0 1
+M  V30 BEGIN ATOM
+M  V30 1 C 9.9525 -5.6641 0 0
+M  V30 2 O 9.9451 -6.8641 0 0
+M  V30 3 N 7.3518 -5.6442 0 0 CFG=3
+M  V30 4 C 8.6579 -4.9049 0 0 CFG=1
+M  V30 5 C 8.6671 -3.4041 0 0
+M  V30 6 O 7.6319 -2.7971 0 0
+M  V30 7 C 6.3173 -5.0361 0 0
+M  V30 8 O 10.8217 -5.1697 0 0
+M  V30 9 H 7.3436 -6.6442 0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 2 1
+M  V30 2 1 1 4
+M  V30 3 1 4 3
+M  V30 4 1 4 5 CFG=1
+M  V30 5 1 5 6
+M  V30 6 1 3 7
+M  V30 7 1 1 8
+M  V30 8 1 3 9
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(7 1 2 3 4 5 6 7) XBONDS=(2 7 8) CSTATE=(4 7 2.17 0.48 -
+M  V30 0) CSTATE=(4 8 -1.31 -0.99 0) LABEL=meS CLASS=AA SAP=(3 1 8 Br) -
+M  V30 SAP=(3 3 9 Al) NATREPLACE=AA/S
+M  V30 2 SUP 2 ATOMS=(1 8) XBONDS=(1 7) CSTATE=(4 7 -2.17 -0.48 0) LABEL=OH -
+M  V30 CLASS=LGRP
+M  V30 3 SUP 3 ATOMS=(1 9) XBONDS=(1 8) CSTATE=(4 8 1.31 0.99 0) LABEL=H -
+M  V30 CLASS=LGRP
+M  V30 END SGROUP
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 4)
+M  V30 END COLLECTION
+M  V30 END CTAB
+M  V30 END TEMPLATE
+M  END
diff --git a/Code/GraphMol/FileParsers/test_data/macromols/obj3dTest2.mol b/Code/GraphMol/FileParsers/test_data/macromols/obj3dTest2.mol
new file mode 100644
index 000000000..700e8ffff
--- /dev/null
+++ b/Code/GraphMol/FileParsers/test_data/macromols/obj3dTest2.mol
@@ -0,0 +1,134 @@
+1 A G meS A G
+ACCLDraw03281611052D
+
+  0  0  0     0  0            999 V3000
+M  V30 BEGIN CTAB
+M  V30 COUNTS 5 4 1 0 1
+M  V30 BEGIN ATOM
+M  V30 1 Ala 1.5563 -9.2328 0 0 CLASS=AA ATTCHORD=(2 2 Br) SEQID=1
+M  V30 2 Gly 2.7137 -9.23 0 0 CLASS=AA ATTCHORD=(4 3 Br 1 Al) SEQID=2
+M  V30 3 meS 3.8712 -9.23 0 0 CLASS=AA ATTCHORD=(4 4 Br 2 Al) SEQID=3
+M  V30 4 Ala 5.4539 -9.23 0 0 CLASS=AA ATTCHORD=(4 3 Al 5 Br) SEQID=4
+M  V30 5 Gly 6.6114 -9.23 0 0 CLASS=AA ATTCHORD=(2 4 Al) SEQID=5
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 2 1
+M  V30 2 1 3 2
+M  V30 3 1 4 3
+M  V30 4 1 5 4
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 DAT 1 ATOMS=(1 1) FIELDNAME="SMMX:sequence position data" -
+M  V30 FIELDDISP=" 1.5563 -9.2328 DA ALL 1 "
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 BEGIN TEMPLATE
+M  V30 TEMPLATE 1 AA/Ala/A/
+M  V30 BEGIN CTAB
+M  V30 COUNTS 7 6 3 7 1
+M  V30 BEGIN ATOM
+M  V30 1 O 6.6266 -2.0662 0 0
+M  V30 2 H 5.0016 -2.0876 0 0
+M  V30 3 N 5.1358 -2.0784 0 0 CFG=3
+M  V30 4 C 5.7844 -1.5983 0 0 CFG=2
+M  V30 5 C 6.4753 -2.0653 0 0
+M  V30 6 O 6.4753 -2.8977 0 0
+M  V30 7 C 5.7844 -0.7662 0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 3 4
+M  V30 2 1 4 5
+M  V30 3 2 5 6
+M  V30 4 1 4 7 CFG=1
+M  V30 5 1 3 2
+M  V30 6 1 5 1
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 1) XBONDS=(1 6) BRKXYZ=(9 7.02 -2.26 0 7.02 -1.85 0 -
+M  V30 0 0 0) CSTATE=(4 6 -0.82 -0.01 0) LABEL=OH CLASS=LGRP
+M  V30 2 SUP 2 ATOMS=(1 2) XBONDS=(1 5) BRKXYZ=(9 4.58 -1.87 0 4.6 -2.28 0 -
+M  V30 0 0 0) CSTATE=(4 5 0.8 0.02 0) LABEL=H CLASS=LGRP
+M  V30 3 SUP 3 ATOMS=(5 3 4 5 6 7) XBONDS=(2 5 6) BRKXYZ=(9 3.95 -3.33 0 3.95 -
+M  V30 -0.38 0 0 0 0) CSTATE=(4 5 -0.8 -0.02 0) CSTATE=(4 6 0.82 0.01 -
+M  V30 0) LABEL=A CLASS=AA SAP=(3 3 2 Al) SAP=(3 5 1 Br)
+M  V30 END SGROUP
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 4)
+M  V30 END COLLECTION
+M  V30 BEGIN OBJ3D
+M  V30 1 -7 6 "" 0 0 BASIS=(3 6 4 2)
+M  V30 2 -5 13 "" 0 0 BASIS=(6 1 2 3 4 5 6)
+M  V30 3 -8 7 "" 0 0 BASIS=(2 O3D.1 O3D.2)
+M  V30 4 -3 6 "" -2 0 BASIS=(2 O3D.1 O3D.3) PNTDIR=1
+M  V30 5 -16 12 "" 1.5 0 BASIS=(1 O3D.4) UNCONNOK=1
+M  V30 6 -12 10 "" 75 105 BASIS=(3 O3D.4 O3D.1 7)
+M  V30 7 -9 3 "" 4.4 5.7 BASIS=(2 7 O3D.1)
+M  V30 END OBJ3D
+M  V30 END CTAB
+M  V30 TEMPLATE 2 AA/Gly/G/
+M  V30 BEGIN CTAB
+M  V30 COUNTS 6 5 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 N 3.676 -12.5274 0 0 CFG=3
+M  V30 2 C 4.2675 -12.095 0 0
+M  V30 3 O 4.8932 -13.2691 0 0
+M  V30 4 C 4.8904 -12.5161 0 0
+M  V30 5 O 5.1042 -12.5167 0 0
+M  V30 6 H 3.4542 -12.5125 0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 1 2 4
+M  V30 3 2 4 3
+M  V30 4 1 4 5
+M  V30 5 1 1 6
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 5) XBONDS=(1 4) CSTATE=(4 4 -0.82 -0.01 0) LABEL=OH -
+M  V30 CLASS=LGRP
+M  V30 2 SUP 2 ATOMS=(4 1 2 3 4) XBONDS=(2 4 5) CSTATE=(4 4 0.82 0.01 0) -
+M  V30 CSTATE=(4 5 -0.83 0.01 0) LABEL=G CLASS=AA SAP=(3 4 5 Br) -
+M  V30 SAP=(3 1 6 Al)
+M  V30 3 SUP 3 ATOMS=(1 6) XBONDS=(1 5) CSTATE=(4 5 0.83 -0.01 0) LABEL=H -
+M  V30 CLASS=LGRP
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 3 AA/meS/meS/ NATREPLACE=AA/S
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 8 3 0 1
+M  V30 BEGIN ATOM
+M  V30 1 C 9.9525 -5.6641 0 0
+M  V30 2 O 9.9451 -6.8641 0 0
+M  V30 3 N 7.3518 -5.6442 0 0 CFG=3
+M  V30 4 C 8.6579 -4.9049 0 0 CFG=1
+M  V30 5 C 8.6671 -3.4041 0 0
+M  V30 6 O 7.6319 -2.7971 0 0
+M  V30 7 C 6.3173 -5.0361 0 0
+M  V30 8 O 10.8217 -5.1697 0 0
+M  V30 9 H 7.3436 -6.6442 0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 2 1
+M  V30 2 1 1 4
+M  V30 3 1 4 3
+M  V30 4 1 4 5 CFG=1
+M  V30 5 1 5 6
+M  V30 6 1 3 7
+M  V30 7 1 1 8
+M  V30 8 1 3 9
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(7 1 2 3 4 5 6 7) XBONDS=(2 7 8) CSTATE=(4 7 2.17 0.48 -
+M  V30 0) CSTATE=(4 8 -1.31 -0.99 0) LABEL=meS CLASS=AA SAP=(3 1 8 Br) -
+M  V30 SAP=(3 3 9 Al) NATREPLACE=AA/S
+M  V30 2 SUP 2 ATOMS=(1 8) XBONDS=(1 7) CSTATE=(4 7 -2.17 -0.48 0) LABEL=OH -
+M  V30 CLASS=LGRP
+M  V30 3 SUP 3 ATOMS=(1 9) XBONDS=(1 8) CSTATE=(4 8 1.31 0.99 0) LABEL=H -
+M  V30 CLASS=LGRP
+M  V30 END SGROUP
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 4)
+M  V30 END COLLECTION
+M  V30 END CTAB
+M  V30 END TEMPLATE
+M  END
diff --git a/Code/GraphMol/FileParsers/test_data/macromols/testSCSR.mol b/Code/GraphMol/FileParsers/test_data/macromols/testSCSR.mol
new file mode 100644
index 000000000..6b1b03435
--- /dev/null
+++ b/Code/GraphMol/FileParsers/test_data/macromols/testSCSR.mol
@@ -0,0 +1,267 @@
+
+  ACCLDraw11122415482D
+
+  0  0  0     0  0            999 V3000
+M  V30 BEGIN CTAB
+M  V30 COUNTS 8 7 1 0 1
+M  V30 BEGIN ATOM
+M  V30 1 Ala 1.6016 -11.5026 0 0 CLASS=AA ATTCHORD=(2 2 Br) SEQID=1 
+M  V30 2 Glu 2.5464 -11.5026 0 0 CLASS=AA ATTCHORD=(4 3 Br 1 Al) SEQID=2 
+M  V30 3 Gly 3.4913 -11.5026 0 0 CLASS=AA ATTCHORD=(4 8 Br 2 Al) SEQID=3 
+M  V30 4 His 5.3811 -11.5026 0 0 CLASS=AA ATTCHORD=(4 8 Al 5 Br) SEQID=5 
+M  V30 5 His 6.326 -11.5026 0 0 CLASS=AA ATTCHORD=(4 4 Al 7 Br) SEQID=6 
+M  V30 6 Pro 8.2157 -11.5026 0 0 CLASS=AA ATTCHORD=(2 7 Al) SEQID=8 
+M  V30 7 Cys 7.2709 -11.5026 0 0 CLASS=AA ATTCHORD=(4 5 Al 6 Br) SEQID=7 
+M  V30 8 Cys 4.4362 -11.5026 0 0 CLASS=AA ATTCHORD=(4 3 Al 4 Br) SEQID=4 
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 2 1 
+M  V30 2 1 2 3 
+M  V30 3 1 8 3 
+M  V30 4 1 4 8 
+M  V30 5 1 5 4 
+M  V30 6 1 5 7 
+M  V30 7 1 7 6 
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 DAT 1 ATOMS=(1 1) FIELDNAME="SMMX:sequence position data" -
+M  V30 FIELDDISP="    1.6016  -11.5026    DA    ALL  1     " 
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 BEGIN TEMPLATE
+M  V30 TEMPLATE 1 AA/Ala/A/
+M  V30 BEGIN CTAB
+M  V30 COUNTS 7 6 3 0 1
+M  V30 BEGIN ATOM
+M  V30 1 O 6.6266 -2.0662 0 0 
+M  V30 2 H 5.0016 -2.0876 0 0 
+M  V30 3 N 5.1358 -2.0784 0 0 CFG=3 
+M  V30 4 C 5.7844 -1.5983 0 0 CFG=2 
+M  V30 5 C 6.4753 -2.0653 0 0 
+M  V30 6 O 6.4753 -2.8977 0 0 
+M  V30 7 C 5.7844 -0.7662 0 0 
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 3 4 
+M  V30 2 1 4 5 
+M  V30 3 2 5 6 
+M  V30 4 1 4 7 CFG=1 
+M  V30 5 1 3 2 
+M  V30 6 1 5 1 
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 1) XBONDS=(1 6) BRKXYZ=(9 7.02 -2.26 0 7.02 -1.85 0 -
+M  V30 0 0 0) CSTATE=(4 6 -0.82 -0.01 0) LABEL=OH CLASS=LGRP 
+M  V30 2 SUP 2 ATOMS=(1 2) XBONDS=(1 5) BRKXYZ=(9 4.58 -1.87 0 4.6 -2.28 0 -
+M  V30 0 0 0) CSTATE=(4 5 0.8 0.02 0) LABEL=H CLASS=LGRP 
+M  V30 3 SUP 3 ATOMS=(5 3 4 5 6 7) XBONDS=(2 5 6) BRKXYZ=(9 3.95 -3.33 0 3.95 -
+M  V30 -0.38 0 0 0 0) CSTATE=(4 5 -0.8 -0.02 0) CSTATE=(4 6 0.82 0.01 -
+M  V30 0) LABEL=A CLASS=AA SAP=(3 3 2 Al) SAP=(3 5 1 Br) 
+M  V30 END SGROUP
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 4)
+M  V30 END COLLECTION
+M  V30 END CTAB
+M  V30 TEMPLATE 2 AA/Glu/E/
+M  V30 BEGIN CTAB
+M  V30 COUNTS 12 11 4 0 1
+M  V30 BEGIN ATOM
+M  V30 1 O 11.8895 -7.3751 0 0 
+M  V30 2 H 9.8607 -7.3749 0 0 
+M  V30 3 H 10.9063 -6.5064 0 0 
+M  V30 4 O 11.929 -8.5562 0 0 
+M  V30 5 C 11.929 -7.3751 0 0 
+M  V30 6 O 10.9061 -3.241 0 0 
+M  V30 7 O 12.952 -3.241 0 0 
+M  V30 8 C 11.929 -3.8316 0 0 
+M  V30 9 C 11.929 -5.0128 0 0 
+M  V30 10 C 10.9061 -5.6034 0 0 
+M  V30 11 C 10.9061 -6.7845 0 0 CFG=2 
+M  V30 12 N 9.8835 -7.3749 0 0 CFG=3 
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 5 4 
+M  V30 2 1 5 1 
+M  V30 3 1 6 3 
+M  V30 4 2 8 7 
+M  V30 5 1 8 6 
+M  V30 6 1 9 8 
+M  V30 7 1 10 9 
+M  V30 8 1 11 10 CFG=1 
+M  V30 9 1 11 5 
+M  V30 10 1 12 11 
+M  V30 11 1 12 2 
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 3) XBONDS=(1 3) CSTATE=(4 3 -0 -0.87 0) LABEL=H -
+M  V30 CLASS=LGRP 
+M  V30 2 SUP 2 ATOMS=(1 2) XBONDS=(1 11) CSTATE=(4 11 1.05 -0 0) LABEL=H -
+M  V30 CLASS=LGRP 
+M  V30 3 SUP 3 ATOMS=(1 1) XBONDS=(1 2) CSTATE=(4 2 -0.98 0 0) LABEL=OH -
+M  V30 CLASS=LGRP 
+M  V30 4 SUP 4 ATOMS=(9 12 11 10 5 9 8 7 6 4) XBONDS=(3 3 11 2) CSTATE=(4 3 0 -
+M  V30 0.87 0) CSTATE=(4 11 -1.05 0 0) CSTATE=(4 2 0.98 -0 0) LABEL=E -
+M  V30 CLASS=AA SAP=(3 5 1 Br) SAP=(3 12 2 Al) SAP=(3 6 3 Cx) 
+M  V30 END SGROUP
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 11)
+M  V30 END COLLECTION
+M  V30 END CTAB
+M  V30 TEMPLATE 3 AA/Gly/G/
+M  V30 BEGIN CTAB
+M  V30 COUNTS 6 5 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 N 3.676 -12.5274 0 0 CFG=3 
+M  V30 2 C 4.2675 -12.095 0 0 
+M  V30 3 O 4.8932 -13.2691 0 0 
+M  V30 4 C 4.8904 -12.5161 0 0 
+M  V30 5 O 5.1042 -12.5167 0 0 
+M  V30 6 H 3.4542 -12.5125 0 0 
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2 
+M  V30 2 1 2 4 
+M  V30 3 2 4 3 
+M  V30 4 1 4 5 
+M  V30 5 1 1 6 
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 5) XBONDS=(1 4) CSTATE=(4 4 -0.82 -0.01 0) LABEL=OH -
+M  V30 CLASS=LGRP 
+M  V30 2 SUP 2 ATOMS=(4 1 2 3 4) XBONDS=(2 4 5) CSTATE=(4 4 0.82 0.01 0) -
+M  V30 CSTATE=(4 5 -0.83 0.01 0) LABEL=G CLASS=AA SAP=(3 4 5 Br) -
+M  V30 SAP=(3 1 6 Al) 
+M  V30 3 SUP 3 ATOMS=(1 6) XBONDS=(1 5) CSTATE=(4 5 0.83 -0.01 0) LABEL=H -
+M  V30 CLASS=LGRP 
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 4 AA/His/H/
+M  V30 BEGIN CTAB
+M  V30 COUNTS 13 13 4 0 1
+M  V30 BEGIN ATOM
+M  V30 1 N 13.6621 -5.9337 0 0 
+M  V30 2 H 12.1156 -8.5455 0 0 
+M  V30 3 O 13.8674 -8.5328 0 0 
+M  V30 4 O 13.6279 -9.3828 0 0 
+M  V30 5 C 13.6279 -8.5328 0 0 
+M  V30 6 N 12.2569 -8.5455 0 0 CFG=3 
+M  V30 7 C 12.9246 -8.0574 0 0 CFG=1 
+M  V30 8 C 12.9246 -7.2051 0 0 
+M  V30 9 C 13.6621 -6.7803 0 0 
+M  V30 10 C 14.4645 -7.0501 0 0 
+M  V30 11 H 12.9332 -7.5261 0 0 
+M  V30 12 C 14.4785 -5.6803 0 0 
+M  V30 13 N 14.9691 -6.3703 0 0 CFG=3 
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 1 12 
+M  V30 2 1 9 1 
+M  V30 3 2 10 9 
+M  V30 4 1 13 10 
+M  V30 5 1 12 13 
+M  V30 6 1 6 2 
+M  V30 7 1 5 3 
+M  V30 8 1 13 11 
+M  V30 9 2 5 4 
+M  V30 10 1 7 5 
+M  V30 11 1 6 7 
+M  V30 12 1 7 8 CFG=1 
+M  V30 13 1 8 9 
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 2) XBONDS=(1 6) BRKXYZ=(9 -16.63 0.59 0 -16.62 -0.11 -
+M  V30 0 0 0 0) CSTATE=(4 6 0.83 0.01 0) LABEL=H CLASS=LGRP 
+M  V30 2 SUP 2 ATOMS=(1 3) XBONDS=(1 7) BRKXYZ=(9 -14.2 -0.09 0 -14.2 0.61 0 -
+M  V30 0 0 0) CSTATE=(4 7 -0.93 -0.01 0) LABEL=OH CLASS=LGRP 
+M  V30 3 SUP 3 ATOMS=(1 11) XBONDS=(1 8) BRKXYZ=(9 -13.87 2.71 0 -13.84 3.41 -
+M  V30 0 0 0 0) CSTATE=(4 8 0.01 -1.01 0) LABEL=H CLASS=LGRP 
+M  V30 4 SUP 4 ATOMS=(10 6 7 4 5 8 1 12 13 10 9) XBONDS=(3 7 8 6) BRKXYZ=(9 -
+M  V30 -14.39 0.61 0 -14.38 -0.09 0 0 0 0) BRKXYZ=(9 -12.94 2.75 0 -
+M  V30 -12.97 2.05 0 0 0 0) BRKXYZ=(9 -16.46 -0.11 0 -16.46 0.59 0 -
+M  V30 0 0 0) CSTATE=(4 7 0.93 0.01 0) CSTATE=(4 8 -0.01 1.01 0) -
+M  V30 CSTATE=(4 6 -0.83 -0.01 0) LABEL=H CLASS=AA SAP=(3 6 2 Al) -
+M  V30 SAP=(3 5 3 Br) SAP=(3 13 11 Cx) 
+M  V30 END SGROUP
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 7)
+M  V30 END COLLECTION
+M  V30 END CTAB
+M  V30 TEMPLATE 5 AA/Pro/P/
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 9 3 0 1
+M  V30 BEGIN ATOM
+M  V30 1 O 3.5033 -2.6912 0 0 
+M  V30 2 H 1.8241 -2.6775 0 0 
+M  V30 3 C 3.3512 -2.6646 0 0 
+M  V30 4 C 2.6882 -2.2195 0 0 CFG=2 
+M  V30 5 C 2.6882 -1.4139 0 0 
+M  V30 6 C 1.8317 -1.2885 0 0 
+M  V30 7 C 1.4465 -2.0649 0 0 
+M  V30 8 N 2.0634 -2.6791 0 0 CFG=3 
+M  V30 9 O 3.3512 -3.464 0 0 
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 3 1 
+M  V30 2 1 8 2 
+M  V30 3 1 4 3 
+M  V30 4 1 4 5 CFG=1 
+M  V30 5 1 6 5 
+M  V30 6 1 7 6 
+M  V30 7 1 7 8 
+M  V30 8 1 8 4 
+M  V30 9 2 3 9 
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 1) XBONDS=(1 1) BRKXYZ=(9 3.87 -2.87 0 3.88 -2.47 0 -
+M  V30 0 0 0) CSTATE=(4 1 -0.8 0.02 0) LABEL=OH CLASS=LGRP 
+M  V30 2 SUP 2 ATOMS=(1 2) XBONDS=(1 2) BRKXYZ=(9 1.46 -2.47 0 1.47 -2.88 0 -
+M  V30 0 0 0) CSTATE=(4 2 0.88 0.01 0) LABEL=H CLASS=LGRP 
+M  V30 3 SUP 3 ATOMS=(7 3 4 5 6 7 8 9) XBONDS=(2 2 1) BRKXYZ=(9 0.8 -3.9 0 -
+M  V30 0.8 -0.91 0 0 0 0) CSTATE=(4 2 -0.88 -0.01 0) CSTATE=(4 1 0.8 -
+M  V30 -0.02 0) LABEL=P CLASS=AA SAP=(3 8 2 Al) SAP=(3 3 1 Br) 
+M  V30 END SGROUP
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 4)
+M  V30 END COLLECTION
+M  V30 END CTAB
+M  V30 TEMPLATE 6 AA/Cys/C/
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 8 4 0 1
+M  V30 BEGIN ATOM
+M  V30 1 H 9.9063 -6.8946 0 0 
+M  V30 2 S 11.0183 -5.1898 0 0 
+M  V30 3 C 9.8926 -5.8385 0 0 
+M  V30 4 C 9.8926 -7.1376 0 0 CFG=1 
+M  V30 5 C 10.9757 -7.8552 0 0 
+M  V30 6 O 11.1331 -7.875 0 0 
+M  V30 7 O 10.9757 -9.1545 0 0 
+M  V30 8 N 8.8368 -7.8948 0 0 CFG=3 
+M  V30 9 H 8.633 -7.8748 0 0 
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 2 1 
+M  V30 2 1 3 2 
+M  V30 3 1 4 3 CFG=1 
+M  V30 4 1 4 5 
+M  V30 5 1 5 6 
+M  V30 6 2 5 7 
+M  V30 7 1 8 4 
+M  V30 8 1 8 9 
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(6 8 4 7 5 3 2) XBONDS=(3 8 5 1) CSTATE=(4 8 -1.27 0 0) -
+M  V30 CSTATE=(4 5 1.23 -0 0) CSTATE=(4 1 0 0.98 0) LABEL=C -
+M  V30 CLASS=AA SAP=(3 8 9 Al) SAP=(3 5 6 Br) SAP=(3 2 1 Cx) 
+M  V30 2 SUP 2 ATOMS=(1 1) XBONDS=(1 1) CSTATE=(4 1 -0 -0.98 0) LABEL=H -
+M  V30 CLASS=LGRP 
+M  V30 3 SUP 3 ATOMS=(1 6) XBONDS=(1 5) CSTATE=(4 5 -1.23 0 0) LABEL=OH -
+M  V30 CLASS=LGRP 
+M  V30 4 SUP 4 ATOMS=(1 9) XBONDS=(1 8) CSTATE=(4 8 1.27 -0 0) LABEL=H -
+M  V30 CLASS=LGRP 
+M  V30 END SGROUP
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 4)
+M  V30 END COLLECTION
+M  V30 END CTAB
+M  V30 END TEMPLATE
+M  END
diff --git a/Code/GraphMol/FileParsers/test_data/macromols/wobblePairs.mol b/Code/GraphMol/FileParsers/test_data/macromols/wobblePairs.mol
new file mode 100644
index 000000000..1f5fff32e
--- /dev/null
+++ b/Code/GraphMol/FileParsers/test_data/macromols/wobblePairs.mol
@@ -0,0 +1,328 @@
+
+  -INDIGO-01232511012D
+
+  0  0  0  0  0  0  0  0  0  0  0 V3000
+M  V30 BEGIN CTAB
+M  V30 COUNTS 22 24 0 0 0
+M  V30 BEGIN ATOM
+M  V30 1 R 1.25 -1.25 0.0 0 CLASS=SUGAR SEQID=1 ATTCHORD=(4 2 Cx 5 Br)
+M  V30 2 In 1.25 -2.75 0.0 0 CLASS=BASE SEQID=1 ATTCHORD=(4 1 Al 11 Ch)
+M  V30 3 R 4.25 -1.25 0.0 0 CLASS=SUGAR SEQID=2 ATTCHORD=(6 4 Cx 5 Al 8 Br)
+M  V30 4 In 4.25 -2.75 0.0 0 CLASS=BASE SEQID=2 ATTCHORD=(4 3 Al 14 Ch)
+M  V30 5 P 2.75 -1.25 0.0 0 CLASS=PHOSPHATE SEQID=1 ATTCHORD=(4 1 Al 3 Br)
+M  V30 6 R 7.25 -1.25 0.0 0 CLASS=SUGAR SEQID=3 ATTCHORD=(6 7 Cx 8 Al 10 Br)
+M  V30 7 In 7.25 -2.75 0.0 0 CLASS=BASE SEQID=3 ATTCHORD=(4 6 Al 17 Ch)
+M  V30 8 P 5.75 -1.25 0.0 0 CLASS=PHOSPHATE SEQID=2 ATTCHORD=(4 6 Br 3 Al)
+M  V30 9 R 10.25 -1.25 0.0 0 CLASS=SUGAR SEQID=4 ATTCHORD=(4 10 Al 21 Cx)
+M  V30 10 P 8.75 -1.25 0.0 0 CLASS=PHOSPHATE SEQID=3 ATTCHORD=(4 6 Al 9 Br)
+M  V30 11 C 1.25 -4.25 0.0 0 CLASS=BASE SEQID=1 ATTCHORD=(4 12 Al 2 Ch)
+M  V30 12 R 1.25 -5.75 0.0 0 CLASS=SUGAR SEQID=1 ATTCHORD=(4 11 Cx 13 Br)
+M  V30 13 P 2.75 -5.75 0.0 0 CLASS=PHOSPHATE SEQID=1 ATTCHORD=(4 12 Al 15 Br)
+M  V30 14 U 4.25 -4.25 0.0 0 CLASS=BASE SEQID=2 ATTCHORD=(4 15 Al 4 Ch)
+M  V30 15 R 4.25 -5.75 0.0 0 CLASS=SUGAR SEQID=2 ATTCHORD=(6 14 Cx 13 Al 16 B-
+M  V30 r)
+M  V30 16 P 5.75 -5.75 0.0 0 CLASS=PHOSPHATE SEQID=2 ATTCHORD=(4 18 Br 15 Al)
+M  V30 17 A 7.25 -4.25 0.0 0 CLASS=BASE SEQID=3 ATTCHORD=(4 18 Al 7 Ch)
+M  V30 18 R 7.25 -5.75 0.0 0 CLASS=SUGAR SEQID=3 ATTCHORD=(6 17 Cx 19 Br 16 A-
+M  V30 l)
+M  V30 19 P 8.75 -5.75 0.0 0 CLASS=PHOSPHATE SEQID=3 ATTCHORD=(4 18 Al 20 Br)
+M  V30 20 R 10.25 -5.75 0.0 0 CLASS=SUGAR SEQID=4 ATTCHORD=(4 19 Al 22 Cx)
+M  V30 21 G 10.25 -2.75 0.0 0 CLASS=BASE SEQID=4 ATTCHORD=(4 9 Al 22 Ch)
+M  V30 22 U 10.25 -4.25 0.0 0 CLASS=BASE SEQID=4 ATTCHORD=(4 20 Al 21 Ch)
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 1 3 4
+M  V30 3 1 1 5
+M  V30 4 1 5 3
+M  V30 5 1 6 7
+M  V30 6 1 8 6
+M  V30 7 1 6 10
+M  V30 8 1 10 9
+M  V30 9 1 11 12
+M  V30 10 1 12 13
+M  V30 11 10 2 11
+M  V30 12 1 14 15
+M  V30 13 1 13 15
+M  V30 14 10 4 14
+M  V30 15 1 17 18
+M  V30 16 1 18 19
+M  V30 17 1 16 18
+M  V30 18 10 7 17
+M  V30 19 1 19 20
+M  V30 20 1 22 20
+M  V30 21 1 9 21
+M  V30 22 10 21 22
+M  V30 23 1 3 8
+M  V30 24 1 15 16
+M  V30 END BOND
+M  V30 END CTAB
+M  V30 BEGIN TEMPLATE
+M  V30 TEMPLATE 1 BASE/Gua/G NATREPLACE=BASE/G
+M  V30 BEGIN CTAB
+M  V30 COUNTS 12 13 2 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.0354 0.2498 0.0 0
+M  V30 2 C -0.0792 -0.754 0.0 0
+M  V30 3 C -1.5057 -0.2906 0.0 0
+M  V30 4 N -1.8177 1.1766 0.0 0
+M  V30 5 C -0.7031 2.1804 0.0 0
+M  V30 6 N 0.7235 1.717 0.0 0
+M  V30 7 N -2.3871 -1.5034 0.0 0
+M  V30 8 C -1.5053 -2.7168 0.0 0
+M  V30 9 N -0.0787 -2.2532 0.0 0
+M  V30 10 O 2.1768 -0.1209 0.0 0
+M  V30 11 N -0.9527 3.3542 0.0 0
+M  V30 12 H -3.5871 -1.5034 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 1 10
+M  V30 2 1 1 6
+M  V30 3 1 1 2
+M  V30 4 1 9 2
+M  V30 5 2 2 3
+M  V30 6 1 7 3
+M  V30 7 1 3 4
+M  V30 8 2 4 5
+M  V30 9 1 5 6
+M  V30 10 1 5 11
+M  V30 11 1 7 8
+M  V30 12 1 7 12
+M  V30 13 2 8 9
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 12) XBONDS=(1 12) BRKXYZ=(9 0.600000 0.000000 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS-
+M  V30 =LGRP
+M  V30 2 SUP 2 ATOMS=(11 1 2 3 4 5 6 7 8 9 10 11) XBONDS=(1 12) BRKXYZ=(9 -0.-
+M  V30 600000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -
+M  V30 0.000000) LABEL=G CLASS=BASE SAP=(3 7 12 Al) SAP=(3 11 0 Ch) SAP=(3 6 0 Ch) SAP=(3 10 0 Ch) NATREPLACE=BASE/G
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 2 BASE/Ade/A NATREPLACE=BASE/A
+M  V30 BEGIN CTAB
+M  V30 COUNTS 11 12 2 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.0354 0.2498 0.0 0
+M  V30 2 C -0.0792 -0.754 0.0 0
+M  V30 3 C -1.5057 -0.2906 0.0 0
+M  V30 4 N -1.8177 1.1766 0.0 0
+M  V30 5 C -0.7031 2.1804 0.0 0
+M  V30 6 N 0.7235 1.717 0.0 0
+M  V30 7 N -2.3871 -1.5034 0.0 0
+M  V30 8 C -1.5053 -2.7168 0.0 0
+M  V30 9 N -0.0787 -2.2532 0.0 0
+M  V30 10 N 2.1768 -0.1209 0.0 0
+M  V30 11 H -3.5871 -1.5034 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 10
+M  V30 2 2 1 6
+M  V30 3 1 1 2
+M  V30 4 1 9 2
+M  V30 5 2 2 3
+M  V30 6 1 7 3
+M  V30 7 1 3 4
+M  V30 8 2 4 5
+M  V30 9 1 5 6
+M  V30 10 1 7 8
+M  V30 11 1 7 11
+M  V30 12 2 8 9
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 11) XBONDS=(1 11) BRKXYZ=(9 0.600000 0.000000 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS-
+M  V30 =LGRP
+M  V30 2 SUP 2 ATOMS=(10 1 2 3 4 5 6 7 8 9 10) XBONDS=(1 11) BRKXYZ=(9 -0.600-
+M  V30 000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.0-
+M  V30 00000) LABEL=A CLASS=BASE SAP=(3 7 11 Al) SAP=(3 5 0 Ch) SAP=(3 6 0 Ch) SAP=(3 10 0 Ch) NATREPLACE=BASE/A
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 3 BASE/Cyt/C NATREPLACE=BASE/C
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 9 2 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.8617 1.3499 0.0 0
+M  V30 2 C 1.1117 2.6489 0.0 0
+M  V30 3 C -0.3882 2.649 0.0 0
+M  V30 4 N -1.1382 1.35 0.0 0
+M  V30 5 C -0.3883 0.0509 0.0 0
+M  V30 6 N 1.1117 0.0509 0.0 0
+M  V30 7 N 3.0618 1.3499 0.0 0
+M  V30 8 O -0.9884 -0.9883 0.0 0
+M  V30 9 H -2.3383 1.35 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 2 1 6
+M  V30 3 1 1 7
+M  V30 4 2 2 3
+M  V30 5 1 3 4
+M  V30 6 1 4 5
+M  V30 7 1 4 9
+M  V30 8 1 5 6
+M  V30 9 2 5 8
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 9) XBONDS=(1 7) BRKXYZ=(9 0.600050 0.000000 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=L-
+M  V30 GRP
+M  V30 2 SUP 2 ATOMS=(8 1 2 3 4 5 6 7 8) XBONDS=(1 7) BRKXYZ=(9 -0.600050 0.0-
+M  V30 00000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) -
+M  V30 LABEL=C CLASS=BASE SAP=(3 4 9 Al) SAP=(3 8 0 Ch) SAP=(3 6 0 Ch) SAP=(3 7 0 Ch)  NATREPLACE=BASE/C
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 4 PHOSPHATE/P/P NATREPLACE=PHOSPHATE/P
+M  V30 BEGIN CTAB
+M  V30 COUNTS 5 4 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 P -0.2399 0.0 0.0 0
+M  V30 2 O -1.4399 0.0 0.0 0
+M  V30 3 O 0.3598 -1.0394 0.0 0
+M  V30 4 O 0.9601 0.0 0.0 0
+M  V30 5 O 0.3598 1.0394 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 2 1 3
+M  V30 3 1 1 4
+M  V30 4 1 1 5
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 2) XBONDS=(1 1) BRKXYZ=(9 0.600000 0.000000 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 4) XBONDS=(1 3) BRKXYZ=(9 -0.600000 0.000000 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLASS-
+M  V30 =LGRP
+M  V30 3 SUP 3 ATOMS=(3 1 3 5) XBONDS=(2 1 3) BRKXYZ=(9 -0.600000 0.000000 0.-
+M  V30 000000 0.600000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=P -
+M  V30 CLASS=PHOSPHATE SAP=(3 1 2 Al) SAP=(3 1 4 Br) NATREPLACE=PHOSPHATE/P
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 5 SUGAR/Rib/R NATREPLACE=SUGAR/R
+M  V30 BEGIN CTAB
+M  V30 COUNTS 12 12 4 0 0
+M  V30 BEGIN ATOM
+M  V30 1 O -1.1017 -1.0663 0.0 0
+M  V30 2 C -0.5897 0.3436 0.0 0 CFG=1
+M  V30 3 C 0.0809 -1.9889 0.0 0 CFG=2
+M  V30 4 C 0.9095 0.2924 0.0 0 CFG=2
+M  V30 5 C 1.3239 -1.1493 0.0 0 CFG=1
+M  V30 6 O 1.8285 1.4755 0.0 0
+M  V30 7 O 2.4518 -1.5589 0.0 0
+M  V30 8 C -1.431 1.5834 0.0 0
+M  V30 9 O 0.0399 -3.1881 0.0 0
+M  V30 10 O -2.9279 1.4755 0.0 0
+M  V30 11 H -3.6017 2.4684 0.0 0
+M  V30 12 H 3.0174 1.3125 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 1 1 3
+M  V30 3 1 2 4
+M  V30 4 1 2 8 CFG=3
+M  V30 5 1 3 5
+M  V30 6 1 3 9 CFG=3
+M  V30 7 1 4 5
+M  V30 8 1 4 6 CFG=1
+M  V30 9 1 5 7 CFG=1
+M  V30 10 1 6 12
+M  V30 11 1 8 10
+M  V30 12 1 10 11
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(4 2 3 4 5)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 11) XBONDS=(1 12) BRKXYZ=(9 0.336900 -0.496450 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
+M  V30 S=LGRP
+M  V30 2 SUP 2 ATOMS=(1 12) XBONDS=(1 10) BRKXYZ=(9 -0.594450 0.081500 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(1 9) XBONDS=(1 6) BRKXYZ=(9 0.020500 0.599600 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLASS=-
+M  V30 LGRP
+M  V30 4 SUP 4 ATOMS=(9 1 2 3 4 5 6 7 8 10) XBONDS=(3 6 10 12) BRKXYZ=(9 -0.0-
+M  V30 20500 -0.599600 0.000000 0.594450 -0.081500 0.000000 0.000000 0.000000-
+M  V30  0.000000) BRKXYZ=(9 -0.336900 0.496450 0.000000 0.000000 0.000000 0.0-
+M  V30 00000 0.000000 0.000000 0.000000) LABEL=R CLASS=SUGAR SAP=(3 10 11 Al)-
+M  V30  SAP=(3 6 12 Br) SAP=(3 3 9 Cx) NATREPLACE=SUGAR/R
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 6 BASE/Ura/U NATREPLACE=BASE/U
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 9 2 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.8617 1.3499 0.0 0
+M  V30 2 C 1.1117 0.0509 0.0 0
+M  V30 3 C -0.3883 0.0509 0.0 0
+M  V30 4 N -1.1382 1.35 0.0 0
+M  V30 5 C -0.3882 2.649 0.0 0
+M  V30 6 N 1.1117 2.6489 0.0 0
+M  V30 7 O 3.0618 1.3499 0.0 0
+M  V30 8 O -0.9882 3.6882 0.0 0
+M  V30 9 H -2.3383 1.35 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 1 7
+M  V30 2 1 1 6
+M  V30 3 1 1 2
+M  V30 4 2 2 3
+M  V30 5 1 3 4
+M  V30 6 1 4 5
+M  V30 7 1 4 9
+M  V30 8 2 5 8
+M  V30 9 1 5 6
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 9) XBONDS=(1 7) BRKXYZ=(9 0.600050 0.000000 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=L-
+M  V30 GRP
+M  V30 2 SUP 2 ATOMS=(8 1 2 3 4 5 6 7 8) XBONDS=(1 7) BRKXYZ=(9 -0.600050 0.0-
+M  V30 00000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) -
+M  V30 LABEL=U CLASS=BASE SAP=(3 4 9 Al) SAP=(3 8 0 Ch) SAP=(3 6 0 Ch) SAP=(3 7 0 Ch) NATREPLACE=BASE/U
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 7 BASE/In/In NATREPLACE=BASE/U
+M  V30 BEGIN CTAB
+M  V30 COUNTS 11 12 2 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.0354 0.2498 0.0 0
+M  V30 2 C -0.0792 -0.754 0.0 0
+M  V30 3 C -1.5057 -0.2906 0.0 0
+M  V30 4 N -1.8177 1.1766 0.0 0
+M  V30 5 C -0.7031 2.1804 0.0 0
+M  V30 6 N 0.7235 1.717 0.0 0
+M  V30 7 N -2.3871 -1.5034 0.0 0
+M  V30 8 C -1.5053 -2.7168 0.0 0
+M  V30 9 N -0.0787 -2.2532 0.0 0
+M  V30 10 O 2.1768 -0.1209 0.0 0
+M  V30 11 H -3.5871 -1.5034 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 1 10
+M  V30 2 1 1 6
+M  V30 3 1 1 2
+M  V30 4 1 9 2
+M  V30 5 2 2 3
+M  V30 6 1 7 3
+M  V30 7 1 3 4
+M  V30 8 2 4 5
+M  V30 9 1 5 6
+M  V30 10 1 7 8
+M  V30 11 1 7 11
+M  V30 12 2 8 9
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 11) XBONDS=(1 11) BRKXYZ=(9 0.600000 0.000000 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS-
+M  V30 =LGRP
+M  V30 2 SUP 2 ATOMS=(10 1 2 3 4 5 6 7 8 9 10) XBONDS=(1 11) BRKXYZ=(9 -0.-
+M  V30 600000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -
+M  V30 0.000000) LABEL=I CLASS=BASE SAP=(3 7 11 Al) SAP=(3 6 0 Ch) SAP=(3 10 0 Ch) NATREPLACE=BASE/G
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 END TEMPLATE
+M  END
diff --git a/Code/GraphMol/FileParsers/test_data/macromols/wobblePairs2.mol b/Code/GraphMol/FileParsers/test_data/macromols/wobblePairs2.mol
new file mode 100644
index 000000000..0d1cf9217
--- /dev/null
+++ b/Code/GraphMol/FileParsers/test_data/macromols/wobblePairs2.mol
@@ -0,0 +1,328 @@
+
+  -INDIGO-01272508152D
+
+  0  0  0  0  0  0  0  0  0  0  0 V3000
+M  V30 BEGIN CTAB
+M  V30 COUNTS 22 24 0 0 0
+M  V30 BEGIN ATOM
+M  V30 1 R 1.25 -1.25 0.0 0 CLASS=SUGAR SEQID=1 ATTCHORD=(4 2 Cx 5 Br)
+M  V30 2 C 1.25 -2.75 0.0 0 CLASS=BASE SEQID=1 ATTCHORD=(4 1 Al 20 Ch)
+M  V30 3 R 4.25 -1.25 0.0 0 CLASS=SUGAR SEQID=2 ATTCHORD=(6 4 Cx 5 Al 8 Br)
+M  V30 4 U 4.25 -2.75 0.0 0 CLASS=BASE SEQID=2 ATTCHORD=(4 3 Al 21 Ch)
+M  V30 5 P 2.75 -1.25 0.0 0 CLASS=PHOSPHATE SEQID=1 ATTCHORD=(4 1 Al 3 Br)
+M  V30 6 R 7.25 -1.25 0.0 0 CLASS=SUGAR SEQID=3 ATTCHORD=(6 7 Cx 8 Al 11 Br)
+M  V30 7 A 7.25 -2.75 0.0 0 CLASS=BASE SEQID=3 ATTCHORD=(4 6 Al 22 Ch)
+M  V30 8 P 5.75 -1.25 0.0 0 CLASS=PHOSPHATE SEQID=2 ATTCHORD=(4 3 Al 6 Br)
+M  V30 9 R 10.25 -1.25 0.0 0 CLASS=SUGAR SEQID=4 ATTCHORD=(4 10 Cx 11 Al)
+M  V30 10 U 10.25 -2.75 0.0 0 CLASS=BASE SEQID=4 ATTCHORD=(4 9 Al 19 Ch)
+M  V30 11 P 8.75 -1.25 0.0 0 CLASS=PHOSPHATE SEQID=3 ATTCHORD=(4 6 Al 9 Br)
+M  V30 12 R 1.25 -5.75 0.0 0 CLASS=SUGAR SEQID=1 ATTCHORD=(4 13 Br 20 Cx)
+M  V30 13 P 2.75 -5.75 0.0 0 CLASS=PHOSPHATE SEQID=1 ATTCHORD=(4 12 Al 14 Br)
+M  V30 14 R 4.25 -5.75 0.0 0 CLASS=SUGAR SEQID=2 ATTCHORD=(6 15 Br 13 Al 21 C-
+M  V30 x)
+M  V30 15 P 5.75 -5.75 0.0 0 CLASS=PHOSPHATE SEQID=2 ATTCHORD=(4 14 Al 16 Br)
+M  V30 16 R 7.25 -5.75 0.0 0 CLASS=SUGAR SEQID=3 ATTCHORD=(6 17 Br 15 Al 22 C-
+M  V30 x)
+M  V30 17 P 8.75 -5.75 0.0 0 CLASS=PHOSPHATE SEQID=3 ATTCHORD=(4 16 Al 18 Br)
+M  V30 18 R 10.25 -5.75 0.0 0 CLASS=SUGAR SEQID=4 ATTCHORD=(4 19 Cx 17 Al)
+M  V30 19 G 10.25 -4.25 0.0 0 CLASS=BASE SEQID=4 ATTCHORD=(4 18 Al 10 Ch)
+M  V30 20 In 1.29737 -4.21062 0.0 0 CLASS=BASE SEQID=1 ATTCHORD=(4 12 Al 2 Ch)
+M  V30 21 In 4.34142 -4.29677 0.0 0 CLASS=BASE SEQID=2 ATTCHORD=(4 14 Al 4 Ch)
+M  V30 22 In 7.29932 -4.44036 0.0 0 CLASS=BASE SEQID=3 ATTCHORD=(4 16 Al 7 Ch)
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 1 3 4
+M  V30 3 1 1 5
+M  V30 4 1 5 3
+M  V30 5 1 6 7
+M  V30 6 1 3 8
+M  V30 7 1 8 6
+M  V30 8 1 9 10
+M  V30 9 1 6 11
+M  V30 10 1 11 9
+M  V30 11 1 12 13
+M  V30 12 1 14 15
+M  V30 13 1 13 14
+M  V30 14 1 16 17
+M  V30 15 1 15 16
+M  V30 16 1 18 19
+M  V30 17 1 17 18
+M  V30 18 10 10 19
+M  V30 19 1 12 20
+M  V30 20 1 14 21
+M  V30 21 1 16 22
+M  V30 22 10 7 22
+M  V30 23 10 4 21
+M  V30 24 10 2 20
+M  V30 END BOND
+M  V30 END CTAB
+M  V30 BEGIN TEMPLATE
+M  V30 TEMPLATE 1 SUGAR/Rib/R NATREPLACE=SUGAR/R
+M  V30 BEGIN CTAB
+M  V30 COUNTS 12 12 4 0 0
+M  V30 BEGIN ATOM
+M  V30 1 O -1.1017 -1.0663 0.0 0
+M  V30 2 C -0.5897 0.3436 0.0 0 CFG=1
+M  V30 3 C 0.0809 -1.9889 0.0 0 CFG=2
+M  V30 4 C 0.9095 0.2924 0.0 0 CFG=2
+M  V30 5 C 1.3239 -1.1493 0.0 0 CFG=1
+M  V30 6 O 1.8285 1.4755 0.0 0
+M  V30 7 O 2.4518 -1.5589 0.0 0
+M  V30 8 C -1.431 1.5834 0.0 0
+M  V30 9 O 0.0399 -3.1881 0.0 0
+M  V30 10 O -2.9279 1.4755 0.0 0
+M  V30 11 H -3.6017 2.4684 0.0 0
+M  V30 12 H 3.0174 1.3125 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 1 1 3
+M  V30 3 1 2 4
+M  V30 4 1 2 8 CFG=3
+M  V30 5 1 3 5
+M  V30 6 1 3 9 CFG=3
+M  V30 7 1 4 5
+M  V30 8 1 4 6 CFG=1
+M  V30 9 1 5 7 CFG=1
+M  V30 10 1 6 12
+M  V30 11 1 8 10
+M  V30 12 1 10 11
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(4 2 3 4 5)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 11) XBONDS=(1 12) BRKXYZ=(9 0.336900 -0.496450 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
+M  V30 S=LGRP
+M  V30 2 SUP 2 ATOMS=(1 12) XBONDS=(1 10) BRKXYZ=(9 -0.594450 0.081500 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(1 9) XBONDS=(1 6) BRKXYZ=(9 0.020500 0.599600 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLASS=-
+M  V30 LGRP
+M  V30 4 SUP 4 ATOMS=(9 1 2 3 4 5 6 7 8 10) XBONDS=(3 6 10 12) BRKXYZ=(9 -0.0-
+M  V30 20500 -0.599600 0.000000 0.594450 -0.081500 0.000000 0.000000 0.000000-
+M  V30  0.000000) BRKXYZ=(9 -0.336900 0.496450 0.000000 0.000000 0.000000 0.0-
+M  V30 00000 0.000000 0.000000 0.000000) LABEL=R CLASS=SUGAR SAP=(3 10 11 Al)-
+M  V30  SAP=(3 6 12 Br) SAP=(3 3 9 Cx) NATREPLACE=SUGAR/R
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 2 BASE/Cyt/C NATREPLACE=BASE/C
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 9 2 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.8617 1.3499 0.0 0
+M  V30 2 C 1.1117 2.6489 0.0 0
+M  V30 3 C -0.3882 2.649 0.0 0
+M  V30 4 N -1.1382 1.35 0.0 0
+M  V30 5 C -0.3883 0.0509 0.0 0
+M  V30 6 N 1.1117 0.0509 0.0 0
+M  V30 7 N 3.0618 1.3499 0.0 0
+M  V30 8 O -0.9884 -0.9883 0.0 0
+M  V30 9 H -2.3383 1.35 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 2 1 6
+M  V30 3 1 1 7
+M  V30 4 2 2 3
+M  V30 5 1 3 4
+M  V30 6 1 4 5
+M  V30 7 1 4 9
+M  V30 8 1 5 6
+M  V30 9 2 5 8
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 9) XBONDS=(1 7) BRKXYZ=(9 0.600050 0.000000 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=L-
+M  V30 GRP
+M  V30 2 SUP 2 ATOMS=(8 1 2 3 4 5 6 7 8) XBONDS=(1 7) BRKXYZ=(9 -0.600050 0.0-
+M  V30 00000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) -
+M  V30 LABEL=C CLASS=BASE SAP=(3 4 9 Al) SAP=(3 8 0 Ch) SAP=(3 6 0 Ch) SAP=(3 7 0 Ch) NATREPLACE=BASE/C
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 3 BASE/Ura/U NATREPLACE=BASE/U
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 9 2 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.8617 1.3499 0.0 0
+M  V30 2 C 1.1117 0.0509 0.0 0
+M  V30 3 C -0.3883 0.0509 0.0 0
+M  V30 4 N -1.1382 1.35 0.0 0
+M  V30 5 C -0.3882 2.649 0.0 0
+M  V30 6 N 1.1117 2.6489 0.0 0
+M  V30 7 O 3.0618 1.3499 0.0 0
+M  V30 8 O -0.9882 3.6882 0.0 0
+M  V30 9 H -2.3383 1.35 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 1 7
+M  V30 2 1 1 6
+M  V30 3 1 1 2
+M  V30 4 2 2 3
+M  V30 5 1 3 4
+M  V30 6 1 4 5
+M  V30 7 1 4 9
+M  V30 8 2 5 8
+M  V30 9 1 5 6
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 9) XBONDS=(1 7) BRKXYZ=(9 0.600050 0.000000 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=L-
+M  V30 GRP
+M  V30 2 SUP 2 ATOMS=(8 1 2 3 4 5 6 7 8) XBONDS=(1 7) BRKXYZ=(9 -0.600050 0.0-
+M  V30 00000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) -
+M  V30 LABEL=U CLASS=BASE SAP=(3 4 9 Al) SAP=(3 8 0 Ch) SAP=(3 6 0 Ch) SAP=(3 7 0 Ch) NATREPLACE=BASE/U
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 4 PHOSPHATE/P/P NATREPLACE=PHOSPHATE/P
+M  V30 BEGIN CTAB
+M  V30 COUNTS 5 4 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 P -0.2399 0.0 0.0 0
+M  V30 2 O -1.4399 0.0 0.0 0
+M  V30 3 O 0.3598 -1.0394 0.0 0
+M  V30 4 O 0.9601 0.0 0.0 0
+M  V30 5 O 0.3598 1.0394 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 2 1 3
+M  V30 3 1 1 4
+M  V30 4 1 1 5
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 2) XBONDS=(1 1) BRKXYZ=(9 0.600000 0.000000 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 4) XBONDS=(1 3) BRKXYZ=(9 -0.600000 0.000000 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLASS-
+M  V30 =LGRP
+M  V30 3 SUP 3 ATOMS=(3 1 3 5) XBONDS=(2 1 3) BRKXYZ=(9 -0.600000 0.000000 0.-
+M  V30 000000 0.600000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=P -
+M  V30 CLASS=PHOSPHATE SAP=(3 1 2 Al) SAP=(3 1 4 Br) NATREPLACE=PHOSPHATE/P
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 5 BASE/Ade/A NATREPLACE=BASE/A
+M  V30 BEGIN CTAB
+M  V30 COUNTS 11 12 2 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.0354 0.2498 0.0 0
+M  V30 2 C -0.0792 -0.754 0.0 0
+M  V30 3 C -1.5057 -0.2906 0.0 0
+M  V30 4 N -1.8177 1.1766 0.0 0
+M  V30 5 C -0.7031 2.1804 0.0 0
+M  V30 6 N 0.7235 1.717 0.0 0
+M  V30 7 N -2.3871 -1.5034 0.0 0
+M  V30 8 C -1.5053 -2.7168 0.0 0
+M  V30 9 N -0.0787 -2.2532 0.0 0
+M  V30 10 N 2.1768 -0.1209 0.0 0
+M  V30 11 H -3.5871 -1.5034 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 10
+M  V30 2 2 1 6
+M  V30 3 1 1 2
+M  V30 4 1 9 2
+M  V30 5 2 2 3
+M  V30 6 1 7 3
+M  V30 7 1 3 4
+M  V30 8 2 4 5
+M  V30 9 1 5 6
+M  V30 10 1 7 8
+M  V30 11 1 7 11
+M  V30 12 2 8 9
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 11) XBONDS=(1 11) BRKXYZ=(9 0.600000 0.000000 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS-
+M  V30 =LGRP
+M  V30 2 SUP 2 ATOMS=(10 1 2 3 4 5 6 7 8 9 10) XBONDS=(1 11) BRKXYZ=(9 -0.600-
+M  V30 000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.0-
+M  V30 00000) LABEL=A CLASS=BASE SAP=(3 7 11 Al) SAP=(3 5 0 Ch) SAP=(3 6 0 Ch) SAP=(3 10 0 Ch) NATREPLACE=BASE/A
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 6 BASE/In/I NATREPLACE=BASE/X
+M  V30 BEGIN CTAB
+M  V30 COUNTS 11 12 2 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.0354 0.2498 0.0 0
+M  V30 2 C -0.0792 -0.754 0.0 0
+M  V30 3 C -1.5057 -0.2906 0.0 0
+M  V30 4 N -1.8177 1.1766 0.0 0
+M  V30 5 C -0.7031 2.1804 0.0 0
+M  V30 6 N 0.7235 1.717 0.0 0
+M  V30 7 N -2.3871 -1.5034 0.0 0
+M  V30 8 C -1.5053 -2.7168 0.0 0
+M  V30 9 N -0.0787 -2.2532 0.0 0
+M  V30 10 O 2.1768 -0.1209 0.0 0
+M  V30 11 H -3.5871 -1.5034 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 1 10
+M  V30 2 1 1 6
+M  V30 3 1 1 2
+M  V30 4 1 9 2
+M  V30 5 2 2 3
+M  V30 6 1 7 3
+M  V30 7 1 3 4
+M  V30 8 2 4 5
+M  V30 9 1 5 6
+M  V30 10 1 7 8
+M  V30 11 1 7 11
+M  V30 12 2 8 9
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 11) XBONDS=(1 11) BRKXYZ=(9 0.600000 0.000000 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS-
+M  V30 =LGRP
+M  V30 2 SUP 2 ATOMS=(10 1 2 3 4 5 6 7 8 9 10) XBONDS=(1 11) BRKXYZ=(9 -0.600-
+M  V30 000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.0-
+M  V30 00000) LABEL=In CLASS=BASE SAP=(3 7 11 Al) SAP=(3 6 0 Ch) SAP=(3 10 0 Ch) NATREPLACE=BASE/X
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 7 BASE/Gua/G NATREPLACE=BASE/G
+M  V30 BEGIN CTAB
+M  V30 COUNTS 12 13 2 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.0354 0.2498 0.0 0
+M  V30 2 C -0.0792 -0.754 0.0 0
+M  V30 3 C -1.5057 -0.2906 0.0 0
+M  V30 4 N -1.8177 1.1766 0.0 0
+M  V30 5 C -0.7031 2.1804 0.0 0
+M  V30 6 N 0.7235 1.717 0.0 0
+M  V30 7 N -2.3871 -1.5034 0.0 0
+M  V30 8 C -1.5053 -2.7168 0.0 0
+M  V30 9 N -0.0787 -2.2532 0.0 0
+M  V30 10 O 2.1768 -0.1209 0.0 0
+M  V30 11 N -0.9527 3.3542 0.0 0
+M  V30 12 H -3.5871 -1.5034 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 1 10
+M  V30 2 1 1 6
+M  V30 3 1 1 2
+M  V30 4 1 9 2
+M  V30 5 2 2 3
+M  V30 6 1 7 3
+M  V30 7 1 3 4
+M  V30 8 2 4 5
+M  V30 9 1 5 6
+M  V30 10 1 5 11
+M  V30 11 1 7 8
+M  V30 12 1 7 12
+M  V30 13 2 8 9
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 12) XBONDS=(1 12) BRKXYZ=(9 0.600000 0.000000 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS-
+M  V30 =LGRP
+M  V30 2 SUP 2 ATOMS=(11 1 2 3 4 5 6 7 8 9 10 11) XBONDS=(1 12) BRKXYZ=(9 -0.-
+M  V30 600000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -
+M  V30 0.000000) LABEL=G CLASS=BASE SAP=(3 7 12 Al) SAP=(3 11 0 Ch) SAP=(3 6 0 Ch) SAP=(3 10 0 Ch) NATREPLACE=BASE/G
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 END TEMPLATE
+M  END
diff --git a/Code/GraphMol/FindRings.cpp b/Code/GraphMol/FindRings.cpp
index 9f10e448e..7866762c2 100644
--- a/Code/GraphMol/FindRings.cpp
+++ b/Code/GraphMol/FindRings.cpp
@@ -825,16 +825,18 @@ bool findRingConnectingAtoms(const ROMol &tMol, const Bond *bond,
 
 namespace RDKit {
 namespace MolOps {
-int findSSSR(const ROMol &mol, VECT_INT_VECT *res, bool includeDativeBonds) {
+int findSSSR(const ROMol &mol, VECT_INT_VECT *res, bool includeDativeBonds,
+             bool includeHydrogenBonds) {
   if (!res) {
     VECT_INT_VECT rings;
-    return findSSSR(mol, rings, includeDativeBonds);
+    return findSSSR(mol, rings, includeDativeBonds, includeHydrogenBonds);
   } else {
-    return findSSSR(mol, (*res), includeDativeBonds);
+    return findSSSR(mol, (*res), includeDativeBonds, includeHydrogenBonds);
   }
 }
 
-int findSSSR(const ROMol &mol, VECT_INT_VECT &res, bool includeDativeBonds) {
+int findSSSR(const ROMol &mol, VECT_INT_VECT &res, bool includeDativeBonds,
+             bool includeHydrogenBonds) {
   res.resize(0);
   if (mol.getRingInfo()->isInitialized()) {
     mol.getRingInfo()->reset();
@@ -849,14 +851,15 @@ int findSSSR(const ROMol &mol, VECT_INT_VECT &res, bool includeDativeBonds) {
   boost::dynamic_bitset<> activeBonds(nbnds);
   activeBonds.set();
 
-  // Zero-order bonds are not candidates for rings, and dative bonds may also be
-  // out
+  // Zero-order bonds are not candidates for rings, and dative bonds and
+  // hydrogen bonds may also be out
   ROMol::EDGE_ITER firstB, lastB;
   boost::tie(firstB, lastB) = mol.getEdges();
   while (firstB != lastB) {
     const Bond *bond = mol[*firstB];
-    if (bond->getBondType() == Bond::ZERO ||
-        (!includeDativeBonds && isDative(*bond))) {
+    auto bt = bond->getBondType();
+    if (bt == Bond::ZERO || (!includeDativeBonds && isDative(bt)) ||
+        (!includeHydrogenBonds && bt == Bond::HYDROGEN)) {
       activeBonds[bond->getIdx()] = 0;
     }
     ++firstB;
@@ -873,8 +876,9 @@ int findSSSR(const ROMol &mol, VECT_INT_VECT &res, bool includeDativeBonds) {
     atomDegrees[i] = deg;
     atomDegreesWithZeroOrderBonds[i] = deg;
     for (const auto bond : mol.atomBonds(atom)) {
-      if (bond->getBondType() == Bond::ZERO ||
-          (!includeDativeBonds && isDative(*bond))) {
+      auto bt = bond->getBondType();
+      if (bt == Bond::ZERO || (!includeHydrogenBonds && bt == Bond::HYDROGEN) ||
+          (!includeDativeBonds && isDative(bt))) {
         atomDegrees[i]--;
       }
     }
@@ -1066,18 +1070,20 @@ int findSSSR(const ROMol &mol, VECT_INT_VECT &res, bool includeDativeBonds) {
   return rdcast<int>(res.size());
 }
 
-int symmetrizeSSSR(ROMol &mol, bool includeDativeBonds) {
+int symmetrizeSSSR(ROMol &mol, bool includeDativeBonds,
+                   bool includeHydrogenBonds) {
   VECT_INT_VECT tmp;
-  return symmetrizeSSSR(mol, tmp, includeDativeBonds);
+  return symmetrizeSSSR(mol, tmp, includeDativeBonds, includeHydrogenBonds);
 };
 
-int symmetrizeSSSR(ROMol &mol, VECT_INT_VECT &res, bool includeDativeBonds) {
+int symmetrizeSSSR(ROMol &mol, VECT_INT_VECT &res, bool includeDativeBonds,
+                   bool includeHydrogenBonds) {
   res.clear();
   VECT_INT_VECT sssrs;
 
   // FIX: need to set flag here the symmetrization has been done in order to
   // avoid repeating this work
-  findSSSR(mol, sssrs, includeDativeBonds);
+  findSSSR(mol, sssrs, includeDativeBonds, includeHydrogenBonds);
 
   // reinit as SYMM_SSSR
   mol.getRingInfo()->initialize(FIND_RING_TYPE_SYMM_SSSR);
diff --git a/Code/GraphMol/MolOps.h b/Code/GraphMol/MolOps.h
index 60984810f..ed25e4ba9 100644
--- a/Code/GraphMol/MolOps.h
+++ b/Code/GraphMol/MolOps.h
@@ -831,11 +831,13 @@ RDKIT_GRAPHMOL_EXPORT void setHybridization(ROMol &mol);
 */
 RDKIT_GRAPHMOL_EXPORT int findSSSR(const ROMol &mol,
                                    std::vector<std::vector<int>> &res,
-                                   bool includeDativeBonds = false);
+                                   bool includeDativeBonds = false,
+                                   bool includeHydrogenBonds = false);
 //! \overload
 RDKIT_GRAPHMOL_EXPORT int findSSSR(const ROMol &mol,
                                    std::vector<std::vector<int>> *res = nullptr,
-                                   bool includeDativeBonds = false);
+                                   bool includeDativeBonds = false,
+                                   bool includeHydrogenBonds = false);
 
 //! use a DFS algorithm to identify ring bonds and atoms in a molecule
 /*!
@@ -876,10 +878,12 @@ RDKIT_GRAPHMOL_EXPORT void findRingFamilies(const ROMol &mol);
 */
 RDKIT_GRAPHMOL_EXPORT int symmetrizeSSSR(ROMol &mol,
                                          std::vector<std::vector<int>> &res,
-                                         bool includeDativeBonds = false);
+                                         bool includeDativeBonds = false,
+                                         bool includeHydrogenBonds = false);
 //! \overload
 RDKIT_GRAPHMOL_EXPORT int symmetrizeSSSR(ROMol &mol,
-                                         bool includeDativeBonds = false);
+                                         bool includeDativeBonds = false,
+                                         bool includeHydrogenBonds = false);
 
 //! @}
 
diff --git a/Code/GraphMol/SmilesParse/CXSmilesOps.cpp b/Code/GraphMol/SmilesParse/CXSmilesOps.cpp
index ffa05d967..0f045b0a5 100644
--- a/Code/GraphMol/SmilesParse/CXSmilesOps.cpp
+++ b/Code/GraphMol/SmilesParse/CXSmilesOps.cpp
@@ -2255,14 +2255,15 @@ std::string get_bond_config_block(
   return res;
 }
 
-std::string get_coordbonds_block(const ROMol &mol,
-                                 const std::vector<unsigned int> &atomOrder,
-                                 const std::vector<unsigned int> &bondOrder) {
+std::string get_coord_or_hydrogen_bonds_block(
+    const ROMol &mol, Bond::BondType bondType, std::string symbol,
+    const std::vector<unsigned int> &atomOrder,
+    const std::vector<unsigned int> &bondOrder) {
   std::string res = "";
   for (unsigned int i = 0; i < bondOrder.size(); ++i) {
     auto idx = bondOrder[i];
     const auto bond = mol.getBondWithIdx(idx);
-    if (bond->getBondType() != Bond::BondType::DATIVE) {
+    if (bond->getBondType() != bondType) {
       continue;
     }
     auto begAtomOrder =
@@ -2271,7 +2272,7 @@ std::string get_coordbonds_block(const ROMol &mol,
     if (!res.empty()) {
       res += ",";
     } else {
-      res = "C:";
+      res = symbol + ":";
     }
     res += boost::str(boost::format("%d.%d") % begAtomOrder % i);
   }
@@ -2589,7 +2590,14 @@ std::string getCXExtensions(const ROMol &mol, std::uint32_t flags) {
   }
 
   if (flags & SmilesWrite::CXSmilesFields::CX_COORDINATE_BONDS) {
-    const auto block = get_coordbonds_block(mol, atomOrder, bondOrder);
+    const auto block = get_coord_or_hydrogen_bonds_block(
+        mol, Bond::BondType::DATIVE, "C", atomOrder, bondOrder);
+    appendToCXExtension(block, res);
+  }
+
+  if (flags & SmilesWrite::CXSmilesFields::CX_HYDROGEN_BONDS) {
+    const auto block = get_coord_or_hydrogen_bonds_block(
+        mol, Bond::BondType::HYDROGEN, "H", atomOrder, bondOrder);
     appendToCXExtension(block, res);
   }
 
diff --git a/Code/GraphMol/SmilesParse/SmilesWrite.cpp b/Code/GraphMol/SmilesParse/SmilesWrite.cpp
index fe542305f..1b58dbba6 100644
--- a/Code/GraphMol/SmilesParse/SmilesWrite.cpp
+++ b/Code/GraphMol/SmilesParse/SmilesWrite.cpp
@@ -601,7 +601,22 @@ std::string MolToSmiles(const ROMol &mol, const SmilesWriteParams &params,
       }
     }
 
+
+    // if we are doing CXSMILES, Hydrogen bonds are shown as single bonds
+    // in the smiles part, and are indicated with the H: block of the CX
+    // extensions
+
+    if (doingCXSmiles) {
+      for (auto bond : tmol->bonds()) {
+        if (bond->getBondType() == Bond::HYDROGEN) {
+          bond->setBondType(Bond::SINGLE);
+        }
+      }
+    }
+
+
     rootedAtAtom = fragsRootedAtAtom[fragIdx];
+
     if (params.doRandom && rootedAtAtom == -1) {
       // need to find a random atom id between 0 and mol.getNumAtoms()
       // exclusively
diff --git a/Code/GraphMol/SmilesParse/SmilesWrite.h b/Code/GraphMol/SmilesParse/SmilesWrite.h
index f7d77384c..4bb8e3907 100644
--- a/Code/GraphMol/SmilesParse/SmilesWrite.h
+++ b/Code/GraphMol/SmilesParse/SmilesWrite.h
@@ -68,7 +68,8 @@ BETTER_ENUM(CXSmilesFields, uint32_t,  // clang-format off
   CX_BOND_CFG = 1 << 9,
   CX_BOND_ATROPISOMER = 1 << 10,
   CX_COORDINATE_BONDS = 1 << 11,
-  CX_ZERO_BONDS = 1 << 12,
+  CX_HYDROGEN_BONDS = 1 << 12,
+  CX_ZERO_BONDS = 1 << 13,
   CX_ALL = 0x7fffffff,
   CX_ALL_BUT_COORDS = CX_ALL ^ CX_COORDS
 );
diff --git a/Code/GraphMol/SmilesParse/catch_tests.cpp b/Code/GraphMol/SmilesParse/catch_tests.cpp
index eb5d2d553..356f0e343 100644
--- a/Code/GraphMol/SmilesParse/catch_tests.cpp
+++ b/Code/GraphMol/SmilesParse/catch_tests.cpp
@@ -29,6 +29,7 @@
 #include <GraphMol/FileParsers/FileParsers.h>
 #include <GraphMol/FileParsers/MolFileStereochem.h>
 #include <GraphMol/SmilesParse/CanonicalizeStereoGroups.h>
+#include <GraphMol/MolOps.h>
 
 using namespace RDKit;
 
@@ -3082,6 +3083,74 @@ TEST_CASE("trimethylcyclohexane") {
   }
 }
 
+TEST_CASE("DnaTestError", "DnaTestError") {
+  SECTION("basics") {
+    auto smi =
+        "[H]OC[C@H]1O[C@@H]2[C@H](O)[C@@H]1OP(=O)(O)OC[C@H]1O[C@@H]3[C@H](O)[C@@H]1OP(=O)(O)OC[C@H]1O[C@@H]4[C@H](O)[C@@H]1OP(=O)(O)OC[C@H]1O[C@@H]5[C@H](O)[C@@H]1OP(=O)(O)OC[C@H]1O[C@@H]6[C@H](O)[C@@H]1OP(=O)(O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O[H])N1C=CC7=N8~N9C(=NC%10=C(N=CN%10[C@@H]%10O[C@H](COP(=O)(O)O[C@H]%11[C@@H](O)[C@@H](O[C@@H]%11COP(=O)(O)O[C@H]%11[C@@H](O)[C@@H](O[C@@H]%11COP(=O)(O)O[C@H]%11[C@@H](O)[C@@H](O[C@@H]%11COP(=O)(O)O[C@H]%11[C@@H](O)[C@@H](O[C@@H]%11COP(=O)(O)O[C@H]%11[C@@H](O)[C@@H](O[C@@H]%11CO[H])N%11C=NC%12=C%11N=C%11~O=C%13N2C=CC2=O~NC%12=N%11~N2%13)N2C=NC%11=C2N=C2N~O=C%12N3C=CC3=N%12~N2C%11=O~N3)N2C=CC3=N%11~N%12C(=NC%13=C(N=CN%134)C%12=O~N3)N~O=C2%11)N2C=C(C)C3=O~NC4=N%11~N3C2=O~C%11=NC2=C4N=CN25)N2C=NC3=C2N=C2~O=C4N6C=CC5=O~NC3=N2~N54)[C@@H](O[H])[C@H]%10O)C9=O~N7)N~O=C18 |(4.67218,-35.5914,;5.34598,-36.5843,;6.84288,-36.4764,;7.68418,-37.7162,;7.17218,-39.1261,;8.35478,-40.0487,;9.59778,-39.2091,;10.7257,-39.6187,;9.18338,-37.7674,;10.1024,-36.5843,;17.9626,-38.0598,;18.5623,-39.0992,;18.5623,-37.0204,;25.2033,-36.5843,;26.7002,-36.4764,;27.5415,-37.7162,;27.0295,-39.1261,;28.2121,-40.0487,;29.4551,-39.2091,;30.583,-39.6187,;29.0407,-37.7674,;29.9597,-36.5843,;37.8199,-38.0598,;38.4196,-39.0992,;38.4196,-37.0204,;45.0606,-36.5843,;46.5575,-36.4764,;47.3988,-37.7162,;46.8868,-39.1261,;48.0694,-40.0487,;49.3124,-39.2091,;50.4403,-39.6187,;48.898,-37.7674,;49.817,-36.5843,;57.6772,-38.0598,;58.2769,-39.0992,;58.2769,-37.0204,;64.9179,-36.5843,;66.4148,-36.4764,;67.2561,-37.7162,;66.7441,-39.1261,;67.9267,-40.0487,;69.1697,-39.2091,;70.2976,-39.6187,;68.7553,-37.7674,;69.6743,-36.5843,;77.5345,-38.0598,;78.1342,-39.0992,;78.1342,-37.0204,;84.7752,-36.5843,;86.2721,-36.4764,;87.1134,-37.7162,;86.6014,-39.1261,;87.784,-40.0487,;89.027,-39.2091,;90.1549,-39.6187,;88.6126,-37.7674,;89.5316,-36.5843,;97.3918,-38.0598,;97.9915,-39.0992,;97.9915,-37.0204,;104.632,-36.5843,;106.129,-36.4764,;106.971,-37.7162,;106.459,-39.1261,;107.641,-40.0487,;108.884,-39.2091,;110.012,-39.6187,;108.47,-37.7674,;109.389,-36.5843,;110.578,-36.7473,;106.21,-27.8713,;106.96,-26.5723,;108.46,-26.5724,;109.21,-27.8714,;108.46,-29.1704,;109.007,-16.4468,;107.581,-15.9834,;106.466,-16.9872,;106.778,-18.4544,;108.205,-18.9178,;108.205,-20.417,;106.778,-20.8806,;105.897,-19.6672,;107.641,-10.2628,;106.459,-9.34016,;106.971,-7.93026,;106.129,-6.69046,;104.632,-6.79836,;97.3918,-8.27388,;97.9915,-9.31328,;97.9915,-7.23447,;89.5316,-6.79836,;88.6126,-7.98146,;89.027,-9.42316,;90.1549,-9.83276,;87.784,-10.2628,;86.6014,-9.34016,;87.1134,-7.93026,;86.2721,-6.69046,;84.7752,-6.79836,;77.5345,-8.27388,;78.1342,-9.31328,;78.1342,-7.23447,;69.6743,-6.79836,;68.7553,-7.98146,;69.1697,-9.42316,;70.2976,-9.83276,;67.9267,-10.2628,;66.7441,-9.34016,;67.2561,-7.93026,;66.4148,-6.69046,;64.9179,-6.79836,;57.6772,-8.27388,;58.2769,-9.31328,;58.2769,-7.23447,;49.817,-6.79836,;48.898,-7.98146,;49.3124,-9.42316,;50.4403,-9.83276,;48.0694,-10.2628,;46.8868,-9.34016,;47.3988,-7.93026,;46.5575,-6.69046,;45.0606,-6.79836,;37.8199,-8.27388,;38.4196,-9.31328,;38.4196,-7.23447,;29.9597,-6.79836,;29.0407,-7.98146,;29.4551,-9.42316,;30.583,-9.83276,;28.2121,-10.2628,;27.0295,-9.34016,;27.5415,-7.93026,;26.7002,-6.69046,;25.2033,-6.79836,;17.9626,-8.27388,;18.5623,-9.31328,;18.5623,-7.23447,;10.1024,-6.79836,;9.18338,-7.98146,;9.59778,-9.42316,;10.7257,-9.83276,;8.35478,-10.2628,;7.17218,-9.34016,;7.68418,-7.93026,;6.84288,-6.69046,;5.34598,-6.79836,;4.67218,-5.80546,;6.58934,-19.3588,;7.47114,-20.5722,;8.89774,-20.1086,;8.89724,-18.6094,;7.47074,-18.146,;7.15874,-16.6788,;8.27334,-15.675,;7.07393,-26.0527,;7.67393,-27.0919,;6.92393,-28.3909,;7.67383,-29.69,;9.17383,-29.69,;9.92383,-28.391,;11.1239,-28.391,;11.1532,-17.9763,;10.0118,-17.6056,;9.69994,-16.1384,;9.17383,-27.092,;26.4675,-19.6672,;27.3493,-20.8806,;28.7759,-20.417,;28.7754,-18.9178,;27.3489,-18.4544,;27.0369,-16.9872,;28.1515,-15.9834,;27.9019,-14.8096,;26.9311,-30.2096,;27.5312,-29.1704,;26.7813,-27.8713,;27.5313,-26.5723,;29.0312,-26.5724,;29.7812,-27.8714,;29.0312,-29.1704,;29.5781,-16.4468,;29.89,-17.914,;31.0314,-18.2847,;30.9813,-27.8714,;46.6386,-17.9427,;47.3886,-16.6437,;48.8885,-16.6438,;49.6385,-17.9428,;48.8885,-19.2418,;49.4354,-26.3755,;48.0088,-25.9121,;46.8942,-26.9159,;47.2062,-28.3831,;48.6327,-28.8465,;48.6332,-30.3457,;47.2066,-30.8093,;46.3248,-29.5959,;49.7473,-27.8427,;50.8887,-28.2134,;50.8386,-17.9428,;47.7592,-24.7383,;46.7884,-20.281,;47.3885,-19.2418,;66.3458,-18.2025,;67.0957,-19.5016,;68.5957,-19.5016,;69.1957,-20.5409,;69.3457,-18.2026,;70.5458,-18.2026,;70.7251,-27.9049,;69.5837,-27.5342,;69.2718,-26.067,;68.5957,-16.9036,;67.0958,-16.9035,;66.4958,-15.8643,;67.8452,-25.6036,;66.7306,-26.6074,;67.0426,-28.0746,;68.4691,-28.538,;68.4696,-30.0372,;67.043,-30.5008,;66.1612,-29.2874,;86.0185,-19.3588,;86.9003,-20.5722,;88.3269,-20.1086,;88.3264,-18.6094,;86.8999,-18.146,;86.5879,-16.6788,;87.7025,-15.675,;86.5031,-26.0527,;87.1031,-27.0919,;86.3531,-28.3909,;87.103,-29.69,;88.603,-29.69,;89.353,-28.391,;90.5531,-28.391,;90.5824,-17.9763,;89.441,-17.6056,;89.1291,-16.1384,;88.603,-27.092,;108.47,-7.98146,;109.389,-6.79836,;110.578,-6.96136,;108.884,-9.42316,;110.012,-9.83276,;109.319,-17.914,;110.461,-18.2847,;110.41,-27.8714,;107.331,-14.8096,;106.36,-30.2096,;106.96,-29.1704,),wD:3.2,15.15,27.28,39.41,51.54,63.67,65.76,84.90,86.93,96.103,98.106,108.116,110.119,120.129,122.132,132.142,134.145,144.155,146.158,wU:5.4,6.6,8.9,17.17,18.19,20.22,29.30,30.32,32.35,41.43,42.45,44.48,53.56,54.58,56.61,66.71,68.74,93.99,94.101,105.112,106.114,117.125,118.127,129.138,130.140,141.151,142.153,243.285,246.289,H:76.81,156.169,164.177,166.182,175.194,183.203,185.208,191.215,202.228,204.231,211.241,215.244,217.249,231.268,239.276,241.281,249.293,251.296,a:3,5,6,8,15,17,18,20,27,29,30,32,39,41,42,44,51,53,54,56,63,65,66,68,84,86,93,94,96,98,105,106,108,110,117,118,120,122,129,130,132,134,141,142,144,146,243,246|";
+    RDKit::v2::SmilesParse::SmilesParserParams sp;
+    sp.sanitize = false;
+    sp.removeHs = false;
+    sp.strictCXSMILES = false;
+    sp.removeHs = false;
+
+    auto mol = MolFromSmiles(smi, sp);
+    RDKit::Chirality::removeNonExplicit3DChirality(*(mol.get()));
+
+    CHECK(mol);
+    CHECK(mol->getNumAtoms() == 254);
+    CHECK(mol->getNumBonds() == 300);
+
+    // do the operations to the mol
+
+    unsigned int operationThatFailed = 0;
+    const unsigned int sanitizeOps = RDKit::MolOps::SANITIZE_ALL ^
+                                     RDKit::MolOps::SANITIZE_CLEANUP ^
+                                     RDKit::MolOps::SANITIZE_PROPERTIES;
+
+    RDKit::MolOps::sanitizeMol(*mol, operationThatFailed, sanitizeOps);
+
+    RDKit::MolOps::RemoveHsParameters removeParams;
+    removeParams.removeHydrides = true;
+    removeParams.removeInSGroups = true;
+    removeParams.removeMapped = true;
+    removeParams.removeNonimplicit = true;
+    removeParams.removeWithWedgedBond = true;
+
+    RDKit::MolOps::removeHs(*mol, removeParams, false);
+
+    // 2nd sanitize pass
+
+    RDKit::MolOps::sanitizeMol(*mol, operationThatFailed, sanitizeOps);
+
+    std::string expectedOutSmi =
+        "Cc1cn2[C@@H]3O[C@@H]4COP(=O)(O)O[C@H]5[C@@H](O)[C@@H]6n7ccc8NO=c9c%10ncn([C@@H]%11O[C@H](COP(=O)(O)O[C@H]%12[C@@H](O)[C@@H]%13n%14ccc%15NO=c%16c%17ncn([C@@H]%18O[C@H](COP(=O)(O)O[C@H]%19[C@@H](O)[C@H](n%20cnc%21c%22NO=c%23ccn([C@@H]%24O[C@H](CO)[C@@H](OP(=O)(O)OC[C@H]%12O%13)[C@H]%24O)c%12=Oc(nc%21%20)n%22-[nH]%23%12)O[C@@H]%19CO)[C@@H](OP(=O)(O)OC[C@H]5O6)[C@H]%18O)c%17nc5NO=c%14n%15-[nH]5%16)[C@@H](OP(=O)(O)OC[C@H]5O[C@@H](n6cnc%12c%13NO=c1[nH]1-n%13c(O=c21)nc%126)[C@H](O)[C@@H]5OP(=O)(O)OC[C@H]1O[C@H]2n5ccc6=ONc%12c%13ncn([C@@H]%14O[C@H](COP(=O)(O)O[C@H]4[C@H]3O)[C@@H](OP(=O)(O)OC[C@H]3O[C@@H](n4cnc%15c%16=ONc%17ccn([C@@H]%18O[C@H](COP(=O)(O)O[C@H]1[C@H]2O)[C@@H](O)[C@H]%18O)c1=ONc(nc%154)[nH]%16-n%171)[C@H](O)[C@@H]3O)[C@H]%14O)c%13nc1O=c5[nH]6-n%121)[C@H]%11O)c%10nc1NO=c7n8-[nH]19 |(69.1957,-20.5409,;68.5957,-19.5016,;67.0957,-19.5016,;66.3458,-18.2025,;67.9267,-10.2628,;66.7441,-9.34016,;67.2561,-7.93026,;66.4148,-6.69046,;64.9179,-6.79836,;57.6772,-8.27388,;58.2769,-9.31328,;58.2769,-7.23447,;49.817,-6.79836,;48.898,-7.98146,;49.3124,-9.42316,;50.4403,-9.83276,;48.0694,-10.2628,;46.6386,-17.9427,;47.3886,-16.6437,;48.8885,-16.6438,;49.6385,-17.9428,;50.8386,-17.9428,;50.8887,-28.2134,;49.7473,-27.8427,;48.6327,-28.8465,;48.6332,-30.3457,;47.2066,-30.8093,;46.3248,-29.5959,;48.0694,-40.0487,;46.8868,-39.1261,;47.3988,-37.7162,;46.5575,-36.4764,;45.0606,-36.5843,;37.8199,-38.0598,;38.4196,-39.0992,;38.4196,-37.0204,;29.9597,-36.5843,;29.0407,-37.7674,;29.4551,-39.2091,;30.583,-39.6187,;28.2121,-40.0487,;26.7813,-27.8713,;27.5313,-26.5723,;29.0312,-26.5724,;29.7812,-27.8714,;30.9813,-27.8714,;31.0314,-18.2847,;29.89,-17.914,;28.7754,-18.9178,;28.7759,-20.417,;27.3493,-20.8806,;26.4675,-19.6672,;28.2121,-10.2628,;27.0295,-9.34016,;27.5415,-7.93026,;26.7002,-6.69046,;25.2033,-6.79836,;17.9626,-8.27388,;18.5623,-9.31328,;18.5623,-7.23447,;10.1024,-6.79836,;9.18338,-7.98146,;9.59778,-9.42316,;10.7257,-9.83276,;8.35478,-10.2628,;6.58934,-19.3588,;7.47114,-20.5722,;8.89774,-20.1086,;8.89724,-18.6094,;10.0118,-17.6056,;11.1532,-17.9763,;11.1239,-28.391,;9.92383,-28.391,;9.17383,-29.69,;7.67383,-29.69,;6.92393,-28.3909,;8.35478,-40.0487,;7.17218,-39.1261,;7.68418,-37.7162,;6.84288,-36.4764,;5.34598,-36.5843,;9.18338,-37.7674,;10.1024,-36.5843,;17.9626,-38.0598,;18.5623,-39.0992,;18.5623,-37.0204,;25.2033,-36.5843,;26.7002,-36.4764,;27.5415,-37.7162,;27.0295,-39.1261,;9.59778,-39.2091,;10.7257,-39.6187,;7.67393,-27.0919,;7.07393,-26.0527,;8.27334,-15.675,;7.15874,-16.6788,;7.47074,-18.146,;9.69994,-16.1384,;9.17383,-27.092,;7.17218,-9.34016,;7.68418,-7.93026,;6.84288,-6.69046,;5.34598,-6.79836,;29.0407,-7.98146,;29.9597,-6.79836,;37.8199,-8.27388,;38.4196,-9.31328,;38.4196,-7.23447,;45.0606,-6.79836,;46.5575,-6.69046,;47.3988,-7.93026,;46.8868,-9.34016,;29.4551,-9.42316,;30.583,-9.83276,;27.3489,-18.4544,;27.0369,-16.9872,;28.1515,-15.9834,;27.9019,-14.8096,;26.9311,-30.2096,;27.5312,-29.1704,;29.0312,-29.1704,;29.5781,-16.4468,;48.898,-37.7674,;49.817,-36.5843,;57.6772,-38.0598,;58.2769,-39.0992,;58.2769,-37.0204,;64.9179,-36.5843,;66.4148,-36.4764,;67.2561,-37.7162,;66.7441,-39.1261,;67.9267,-40.0487,;66.1612,-29.2874,;67.043,-30.5008,;68.4696,-30.0372,;68.4691,-28.538,;69.5837,-27.5342,;70.7251,-27.9049,;70.5458,-18.2026,;69.3457,-18.2026,;68.5957,-16.9036,;69.2718,-26.067,;67.8452,-25.6036,;66.4958,-15.8643,;67.0958,-16.9035,;66.7306,-26.6074,;67.0426,-28.0746,;69.1697,-39.2091,;70.2976,-39.6187,;68.7553,-37.7674,;69.6743,-36.5843,;77.5345,-38.0598,;78.1342,-39.0992,;78.1342,-37.0204,;84.7752,-36.5843,;86.2721,-36.4764,;87.1134,-37.7162,;86.6014,-39.1261,;87.784,-40.0487,;86.3531,-28.3909,;87.103,-29.69,;88.603,-29.69,;89.353,-28.391,;90.5531,-28.391,;90.5824,-17.9763,;89.441,-17.6056,;88.3264,-18.6094,;88.3269,-20.1086,;86.9003,-20.5722,;86.0185,-19.3588,;87.784,-10.2628,;86.6014,-9.34016,;87.1134,-7.93026,;86.2721,-6.69046,;84.7752,-6.79836,;77.5345,-8.27388,;78.1342,-9.31328,;78.1342,-7.23447,;69.6743,-6.79836,;68.7553,-7.98146,;69.1697,-9.42316,;70.2976,-9.83276,;88.6126,-7.98146,;89.5316,-6.79836,;97.3918,-8.27388,;97.9915,-9.31328,;97.9915,-7.23447,;104.632,-6.79836,;106.129,-6.69046,;106.971,-7.93026,;106.459,-9.34016,;107.641,-10.2628,;105.897,-19.6672,;106.778,-20.8806,;108.205,-20.417,;108.205,-18.9178,;109.319,-17.914,;110.461,-18.2847,;110.41,-27.8714,;109.21,-27.8714,;108.46,-26.5724,;106.96,-26.5723,;106.21,-27.8713,;107.641,-40.0487,;106.459,-39.1261,;106.971,-37.7162,;106.129,-36.4764,;104.632,-36.5843,;97.3918,-38.0598,;97.9915,-39.0992,;97.9915,-37.0204,;89.5316,-36.5843,;88.6126,-37.7674,;89.027,-39.2091,;90.1549,-39.6187,;108.47,-37.7674,;109.389,-36.5843,;108.884,-39.2091,;110.012,-39.6187,;106.96,-29.1704,;106.36,-30.2096,;107.331,-14.8096,;107.581,-15.9834,;106.466,-16.9872,;106.778,-18.4544,;109.007,-16.4468,;108.46,-29.1704,;108.884,-9.42316,;110.012,-9.83276,;108.47,-7.98146,;109.389,-6.79836,;89.027,-9.42316,;90.1549,-9.83276,;86.8999,-18.146,;86.5879,-16.6788,;87.7025,-15.675,;86.5031,-26.0527,;87.1031,-27.0919,;88.603,-27.092,;89.1291,-16.1384,;49.3124,-39.2091,;50.4403,-39.6187,;47.2062,-28.3831,;46.8942,-26.9159,;48.0088,-25.9121,;47.7592,-24.7383,;46.7884,-20.281,;47.3885,-19.2418,;48.8885,-19.2418,;49.4354,-26.3755,),wD:4.4,6.6,30.30,52.52,54.54,78.78,88.87,64.106,100.109,110.118,16.121,129.145,156.179,170.194,172.196,189.214,191.217,203.228,205.231,wU:13.12,14.14,28.28,37.36,38.38,61.60,62.62,76.76,81.81,40.90,90.93,103.112,112.124,122.139,131.147,147.170,149.173,158.181,179.202,180.206,182.208,212.237,213.241,215.243,217.246,227.261,229.264,231.267,240.282,H:21.21,46.45,70.70,94.96,97.103,117.130,121.135,138.154,140.158,143.161,164.187,197.223,221.249,225.257,235.272,239.277,246.288,248.293,a:4,6,13,14,16,28,30,37,38,40,52,54,61,62,64,76,78,81,88,90,100,103,110,112,122,129,131,147,149,156,158,170,172,179,180,182,189,191,203,205,212,213,215,217,227,229,231,240|";
+    std::string outMolSmi = "";
+    RDKit::SmilesWriteParams swp;
+
+    swp.doIsomericSmiles = true;
+    swp.doKekule = false;
+    swp.canonical = true;
+    swp.cleanStereo = true;
+    swp.allBondsExplicit = false;
+    swp.allHsExplicit = false;
+    swp.doRandom = false;
+    swp.rootedAtAtom = -1;
+    swp.includeDativeBonds = true;
+    swp.ignoreAtomMapNumbers = false;
+
+    try {
+      outMolSmi =
+          MolToCXSmiles(*mol, swp, RDKit::SmilesWrite::CXSmilesFields::CX_ALL,
+                        RestoreBondDirOption::RestoreBondDirOptionTrue);
+
+    } catch (const RDKit::KekulizeException &) {
+      outMolSmi = "";
+    }
+
+    CHECK(expectedOutSmi == outMolSmi);
+  }
+}
+
 TEST_CASE("Github 8328", "MolToSmiles with rootedAtAtom for multiple fragments") {
     SECTION("basics") {
         auto mol = "[C:1][C:2].[N:3]([C:4])=[O:5]"_smiles;
diff --git a/Code/GraphMol/SubstanceGroup.cpp b/Code/GraphMol/SubstanceGroup.cpp
index 013280cd3..9100b6680 100644
--- a/Code/GraphMol/SubstanceGroup.cpp
+++ b/Code/GraphMol/SubstanceGroup.cpp
@@ -335,6 +335,12 @@ bool SubstanceGroupChecks::isValidConnectType(const std::string &type) {
                    type) != SubstanceGroupChecks::sGroupConnectTypes.end();
 }
 
+bool SubstanceGroupChecks::isValidClass(const std::string &sgroupClass) {
+  return std::find(SubstanceGroupChecks::sGroupClasses.begin(),
+                   SubstanceGroupChecks::sGroupClasses.end(),
+                   sgroupClass) != SubstanceGroupChecks::sGroupClasses.end();
+}
+
 bool SubstanceGroupChecks::isSubstanceGroupIdFree(const ROMol &mol,
                                                   unsigned int id) {
   auto match_sgroup = [id](const SubstanceGroup &sg) {
diff --git a/Code/GraphMol/SubstanceGroup.h b/Code/GraphMol/SubstanceGroup.h
index 294a465e7..9f50f443c 100644
--- a/Code/GraphMol/SubstanceGroup.h
+++ b/Code/GraphMol/SubstanceGroup.h
@@ -250,6 +250,11 @@ const std::vector<std::string> sGroupTypes = {
 
 const std::vector<std::string> sGroupSubtypes = {"ALT", "RAN", "BLO"};
 const std::vector<std::string> sGroupConnectTypes = {"HH", "HT", "EU"};
+const std::vector<std::string> sGroupClasses = {
+    "AA",        "dAA",    "DNA",     "RNA",      "SUGAR",    "BASE",
+    "PHOSPHATE", "LINKER", "CHEM",    "LGRP",     "MODAA",    "MODdAA",
+    "MODDNA",    "MODRNA", "XLINKAA", "XLINKdAA", "XLINKDNA", "XLINKRNA",
+};
 
 RDKIT_GRAPHMOL_EXPORT bool isValidType(const std::string &type);
 
@@ -257,6 +262,8 @@ RDKIT_GRAPHMOL_EXPORT bool isValidSubType(const std::string &type);
 
 RDKIT_GRAPHMOL_EXPORT bool isValidConnectType(const std::string &type);
 
+RDKIT_GRAPHMOL_EXPORT bool isValidClass(const std::string &sgroupClass);
+
 RDKIT_GRAPHMOL_EXPORT bool isSubstanceGroupIdFree(const ROMol &mol,
                                                   unsigned int id);
 
diff --git a/Code/GraphMol/Wrap/CMakeLists.txt b/Code/GraphMol/Wrap/CMakeLists.txt
index fd0379aca..5f01f1e68 100644
--- a/Code/GraphMol/Wrap/CMakeLists.txt
+++ b/Code/GraphMol/Wrap/CMakeLists.txt
@@ -70,6 +70,10 @@ add_pytest(pyTestTrajectory
 add_pytest(pyTestSGroups
          ${CMAKE_CURRENT_SOURCE_DIR}/testSGroups.py)
 
+add_pytest(pyTestSCSR
+         ${CMAKE_CURRENT_SOURCE_DIR}/testSCSR.py)
+
+
 if (RDK_TEST_MULTITHREADED)
   add_pytest(pyTestThreads
            ${CMAKE_CURRENT_SOURCE_DIR}/testThreads.py)
diff --git a/Code/GraphMol/Wrap/rdmolfiles.cpp b/Code/GraphMol/Wrap/rdmolfiles.cpp
index bec39347b..0b573c55c 100644
--- a/Code/GraphMol/Wrap/rdmolfiles.cpp
+++ b/Code/GraphMol/Wrap/rdmolfiles.cpp
@@ -171,6 +171,59 @@ ROMol *MolFromMolFile(const std::string &molFilename, bool sanitize,
   return static_cast<ROMol *>(newM);
 }
 
+RDKit::ROMol *MolFromSCSRBlock(const std::string &molBlock, bool sanitize,
+                               bool removeHs, python::object pyParams) {
+  RDKit::v2::FileParsers::MolFromSCSRParams scsrParams;
+  if (pyParams) {
+    scsrParams =
+        python::extract<RDKit::v2::FileParsers::MolFromSCSRParams>(pyParams);
+  }
+  std::istringstream inStream(molBlock);
+  unsigned int line = 0;
+  try {
+    RDKit::v2::FileParsers::MolFileParserParams params;
+    params.sanitize = sanitize;
+    params.removeHs = removeHs;
+    params.strictParsing = false;
+    auto mol = RDKit::v2::FileParsers::MolFromSCSRDataStream(
+        inStream, line, params, scsrParams);
+
+    return static_cast<ROMol *>(mol.release());
+
+  } catch (RDKit::FileParseException &e) {
+    BOOST_LOG(rdWarningLog) << e.what() << std::endl;
+  } catch (...) {
+  }
+  return static_cast<ROMol *>(nullptr);
+}
+
+RDKit::ROMol *MolFromSCSRFile(const std::string &molFilename, bool sanitize,
+                              bool removeHs, python::object pyParams) {
+  RDKit::v2::FileParsers::MolFromSCSRParams scsrParams;
+  if (pyParams) {
+    scsrParams =
+        python::extract<RDKit::v2::FileParsers::MolFromSCSRParams>(pyParams);
+  }
+  try {
+    RDKit::v2::FileParsers::MolFileParserParams params;
+    params.sanitize = sanitize;
+    params.removeHs = removeHs;
+    params.strictParsing = false;
+    auto mol = RDKit::v2::FileParsers::MolFromSCSRFile(molFilename, params,
+                                                       scsrParams);
+
+    return static_cast<ROMol *>(mol.release());
+
+  } catch (RDKit::BadFileException &e) {
+    PyErr_SetString(PyExc_IOError, e.what());
+    throw python::error_already_set();
+  } catch (RDKit::FileParseException &e) {
+    BOOST_LOG(rdWarningLog) << e.what() << std::endl;
+  } catch (...) {
+  }
+  return static_cast<ROMol *>(nullptr);
+}
+
 ROMol *MolFromMrvFile(const std::string &molFilename, bool sanitize,
                       bool removeHs) {
   RWMol *newM = nullptr;
@@ -1101,6 +1154,70 @@ BOOST_PYTHON_MODULE(rdmolfiles) {
           "precision of coordinates (only available in V3000)(default=false)")
       .def("__setattr__",&safeSetattr);
 
+  python::class_<RDKit::v2::FileParsers::MolFromSCSRParams, boost::noncopyable>(
+      "MolFromSCSRParams",
+      "Parameters controlling conversion of an SCSRMol to a Mol")
+      .def_readwrite(
+          "includeLeavingGroups",
+          &RDKit::v2::FileParsers::MolFromSCSRParams::includeLeavingGroups,
+          "include leaving groups atoms if not substited at that position")
+      .def_readwrite(
+          "scsrTemplateNames",
+          &RDKit::v2::FileParsers::MolFromSCSRParams::scsrTemplateNames,
+          "If True, the first template name in the Sgroup is used as the Sgroup label")
+      .def_readwrite(
+          "scsrBaseHbondOptions",
+          &RDKit::v2::FileParsers::MolFromSCSRParams::scsrBaseHbondOptions,
+          "One of Ignore, UseSapAll(default) , UseSapOne, Auto");
+
+  docString =
+      "Construct a molecule from an SCSR Mol block.\n\n\
+      ARGUMENTS:\n\
+    \n\
+        - molBlock: string containing the SCSR Mol block\n\
+    \n\
+        - sanitize: (optional) toggles sanitization of the molecule.\n\
+          Defaults to True.\n\
+    \n\
+        - removeHs: (optional) toggles removing hydrogens from the molecule.\n\
+          This only make sense when sanitization is done.\n\
+          Defaults to true.\n\
+    \n\
+        - molFromSCSRParams : MolFromSCSRParams to control conversion\n\
+    \n RETURNS :\n\
+    \n a Mol object, None on failure.\n\
+    \n ";
+  python::def("MolFromSCSRBlock", RDKit::MolFromSCSRBlock,
+              (python::arg("molBlock"), python::arg("sanitize") = true,
+               python::arg("removeHs") = true,
+               python::arg("molFromSCSRParams") = python::object()),
+              docString.c_str(),
+              python::return_value_policy<python::manage_new_object>());
+
+  docString =
+      "Construct a molecule from an SCSR Mol block.\n\n\
+      ARGUMENTS:\n\
+    \n\
+        - filename: string containing the SCSR filename\n\
+    \n\
+        - sanitize: (optional) toggles sanitization of the molecule.\n\
+          Defaults to True.\n\
+    \n\
+        - removeHs: (optional) toggles removing hydrogens from the molecule.\n\
+          This only make sense when sanitization is done.\n\
+          Defaults to true.\n\
+    \n\
+        - molFromSCSRParams : MolFromSCSRParams to control conversion\n\
+    \n RETURNS :\n\
+    \n a Mol object, None on failure.\n\
+    \n ";
+  python::def("MolFromSCSRFile", RDKit::MolFromSCSRFile,
+              (python::arg("filename"), python::arg("sanitize") = true,
+               python::arg("removeHs") = true,
+               python::arg("molFromSCSRParams") = python::object()),
+              docString.c_str(),
+              python::return_value_policy<python::manage_new_object>());
+
   docString =
       "Returns a Mol block for a molecule\n\
   Arguments:\n\
@@ -1736,6 +1853,22 @@ BOOST_PYTHON_MODULE(rdmolfiles) {
       .value("CX_ALL_BUT_COORDS",
              RDKit::SmilesWrite::CXSmilesFields::CX_ALL_BUT_COORDS);
 
+  python::enum_<RDKit::v2::FileParsers::SCSRBaseHbondOptions>(
+      "SCSRBaseHbondOptions")
+      .value("Ignore", RDKit::v2::FileParsers::SCSRBaseHbondOptions::Ignore)
+      .value("UseSapAll",
+             RDKit::v2::FileParsers::SCSRBaseHbondOptions::UseSapAll)
+      .value("UseSapOne",
+             RDKit::v2::FileParsers::SCSRBaseHbondOptions::UseSapOne)
+      .value("Auto", RDKit::v2::FileParsers::SCSRBaseHbondOptions::Auto);
+
+  python::enum_<RDKit::v2::FileParsers::SCSRTemplateNames>("SCSRTemplateNames")
+      .value("UseFirstName",
+             RDKit::v2::FileParsers::SCSRTemplateNames::UseFirstName)
+      .value("UseSecondName",
+             RDKit::v2::FileParsers::SCSRTemplateNames::UseSecondName)
+      .value("AsEntered", RDKit::v2::FileParsers::SCSRTemplateNames::AsEntered);
+
   python::enum_<RDKit::RestoreBondDirOption>("RestoreBondDirOption")
       .value("RestoreBondDirOptionClear",
              RDKit::RestoreBondDirOption::RestoreBondDirOptionClear)
diff --git a/Code/GraphMol/Wrap/testSCSR.py b/Code/GraphMol/Wrap/testSCSR.py
new file mode 100644
index 000000000..8e151a056
--- /dev/null
+++ b/Code/GraphMol/Wrap/testSCSR.py
@@ -0,0 +1,121 @@
+#
+#  Copyright (C) 2024 Tad Hurst
+#         All Rights Reserved
+#
+#  This file is part of the RDKit.
+#  The contents are covered by the terms of the BSD license
+#  which is included in the file license.txt, found at the root
+#  of the RDKit source tree.
+#
+
+#
+import os
+import sys
+import unittest
+
+from rdkit import Chem
+from rdkit.Chem import RDConfig
+
+
+class TestCase(unittest.TestCase):
+
+  def setUp(self):
+    pass
+
+  def testSCSR(self):
+    """Test the SCSR system"""
+
+    ofile = os.path.join(RDConfig.RDBaseDir, 'Code', 'GraphMol', 'FileParsers', 'test_data',
+                         'macromols', 'Triplet.mol')
+    with open(ofile) as inf:
+      scsrBlock = inf.read()
+
+    molFromSCSRParams = Chem.MolFromSCSRParams()
+    molFromSCSRParams.includeLeavingGroups = True
+    molFromSCSRParams.scsrTemplateNames = Chem.SCSRTemplateNames.AsEntered
+    molFromSCSRParams.scsrBaseHbondOptions = Chem.SCSRBaseHbondOptions.Ignore
+
+    for mol in (Chem.MolFromSCSRBlock(scsrBlock, False, False, molFromSCSRParams),
+                Chem.MolFromSCSRFile(ofile, False, False, molFromSCSRParams)):
+
+      self.assertTrue(mol.GetNumAtoms() == 30)
+      sgs = Chem.GetMolSubstanceGroups(mol)
+      self.assertEqual(len(sgs), 6)
+
+    # check defaults:
+    for mol in (Chem.MolFromSCSRBlock(scsrBlock), Chem.MolFromSCSRFile(ofile)):
+      self.assertTrue(mol.GetNumAtoms() == 30)
+      sgs = Chem.GetMolSubstanceGroups(mol)
+      self.assertEqual(len(sgs), 6)
+
+  def testSCSRRna(self):
+    """Test the SCSR system with and RNA double strand"""
+
+    ofile = os.path.join(RDConfig.RDBaseDir, 'Code', 'GraphMol', 'FileParsers', 'test_data',
+                         'macromols', 'DnaTest.mol')
+    with open(ofile) as inf:
+      scsrBlock = inf.read()
+
+    molFromSCSRParams = Chem.MolFromSCSRParams()
+    molFromSCSRParams.includeLeavingGroups = True
+    molFromSCSRParams.scsrTemplateNames = Chem.SCSRTemplateNames.AsEntered
+    molFromSCSRParams.scsrBaseHbondOptions = Chem.SCSRBaseHbondOptions.Auto
+
+    mol = Chem.MolFromSCSRBlock(scsrBlock, False, False, molFromSCSRParams)
+
+    self.assertTrue(mol.GetNumAtoms() == 254)
+    self.assertTrue(mol.GetNumBonds() == 300)
+    sgs = Chem.GetMolSubstanceGroups(mol)
+    self.assertTrue(len(sgs) == 38)
+
+    molFromSCSRParams.scsrBaseHbondOptions = Chem.SCSRBaseHbondOptions.Ignore
+    mol = Chem.MolFromSCSRBlock(scsrBlock, False, False, molFromSCSRParams)
+
+    self.assertTrue(mol.GetNumAtoms() == 254)
+    self.assertTrue(mol.GetNumBonds() == 282)
+    sgs = Chem.GetMolSubstanceGroups(mol)
+    self.assertTrue(len(sgs) == 38)
+
+  def testThreeLetterCodes(self):
+    """Test the SCSR system with three letter codes"""
+
+    ofile = os.path.join(RDConfig.RDBaseDir, 'Code', 'GraphMol', 'FileParsers', 'test_data',
+                         'macromols', 'PepTla.mol')
+    with open(ofile) as inf:
+      scsrBlock = inf.read()
+
+    molFromSCSRParams = Chem.MolFromSCSRParams()
+    molFromSCSRParams.includeLeavingGroups = True
+    molFromSCSRParams.scsrTemplateNames = Chem.SCSRTemplateNames.AsEntered
+
+    mol = Chem.MolFromSCSRBlock(scsrBlock, False, False, molFromSCSRParams)
+
+    self.assertEqual(mol.GetNumAtoms(), 26)
+    self.assertEqual(mol.GetNumBonds(), 25)
+    sgs = Chem.GetMolSubstanceGroups(mol)
+    self.assertTrue(len(sgs) == 7)
+    sgs[0].GetProp('LABEL')
+    self.assertEqual(sgs[0].GetProp('LABEL'), 'Ala_4')
+
+    molFromSCSRParams.scsrTemplateNames = Chem.SCSRTemplateNames.UseFirstName
+
+    mol = Chem.MolFromSCSRBlock(scsrBlock, False, False, molFromSCSRParams)
+
+    self.assertEqual(mol.GetNumAtoms(), 26)
+    sgs = Chem.GetMolSubstanceGroups(mol)
+    self.assertEqual(len(sgs), 7)
+
+    self.assertEqual(sgs[0].GetProp('LABEL'), 'Ala_4')
+
+    molFromSCSRParams.scsrTemplateNames = Chem.SCSRTemplateNames.UseSecondName
+    mol = Chem.MolFromSCSRBlock(scsrBlock, False, False, molFromSCSRParams)
+
+    self.assertEqual(mol.GetNumAtoms(), 26)
+    sgs = Chem.GetMolSubstanceGroups(mol)
+    self.assertEqual(len(sgs), 7)
+
+    self.assertEqual(sgs[0].GetProp('LABEL'), 'A_4')
+
+
+if __name__ == '__main__':
+  unittest.main()
diff --git a/Code/GraphMol/testSGroup.cpp b/Code/GraphMol/testSGroup.cpp
index 596852d69..01396f4e2 100644
--- a/Code/GraphMol/testSGroup.cpp
+++ b/Code/GraphMol/testSGroup.cpp
@@ -101,7 +101,7 @@ RWMol buildSampleMolecule() {
     // Vector should not be parsed (not a SUP group)
     sg.addCState(2, RDGeom::Point3D());
 
-    sg.setProp("CLASS", "TEST CLASS");
+    sg.setProp("CLASS", "DNA");
 
     sg.addAttachPoint(0, 0, "XX");
 
@@ -209,7 +209,7 @@ void checkSampleMolecule(const RWMol &mol) {
     TEST_ASSERT(cstates[0].vector.y == 0.);
     TEST_ASSERT(cstates[0].vector.z == 0.);
 
-    TEST_ASSERT(sg.getProp<std::string>("CLASS") == "TEST CLASS");
+    TEST_ASSERT(sg.getProp<std::string>("CLASS") == "DNA");
 
     auto ap = sg.getAttachPoints();
     TEST_ASSERT(ap.size() == 1);
@@ -371,7 +371,7 @@ void testParseSubstanceGroups(const std::string &rdbase) {
     const auto sgroup = sgroups.at(0);
 
     TEST_ASSERT(sgroup.getProp<std::string>("TYPE") == "SUP");
-    TEST_ASSERT(sgroup.getProp<std::string>("CLASS") == "DEMOCLASS");
+    TEST_ASSERT(sgroup.getProp<std::string>("CLASS") == "AA");
     TEST_ASSERT(sgroup.getProp<std::string>("LABEL") == "abbrev");
 
     std::vector<unsigned int> atoms_reference = {6, 7, 8, 9, 11, 12};
diff --git a/Code/RDGeneral/types.cpp b/Code/RDGeneral/types.cpp
index bb54c33cc..8ff43d854 100644
--- a/Code/RDGeneral/types.cpp
+++ b/Code/RDGeneral/types.cpp
@@ -129,11 +129,14 @@ const std::string molRingBondCount = "molRingBondCount";
 const std::string molSubstCount = "molSubstCount";
 const std::string molAttachPoint = "molAttchpt";
 const std::string molAttachOrder = "molAttchord";
+const std::string molAttachOrderTemplate = "molAttachOrderTemplate";
 const std::string molAtomClass = "molClass";
 const std::string molAtomSeqId = "molSeqid";
 const std::string molRxnExactChange = "molRxnExachg";
 const std::string molReactStatus = "molReactStatus";
 const std::string _fromAttachPoint = "_fromAttchpt";
+const std::string natReplace = "natReplace";
+const std::string templateNames = "templateNames";
 
 const std::string molNote = "molNote";
 const std::string atomNote = "atomNote";
diff --git a/Code/RDGeneral/types.h b/Code/RDGeneral/types.h
index 7d8d25078..9e5e59a3f 100644
--- a/Code/RDGeneral/types.h
+++ b/Code/RDGeneral/types.h
@@ -164,20 +164,26 @@ RDKIT_RDGENERAL_EXPORT extern const std::string
 RDKIT_RDGENERAL_EXPORT extern const std::string OxidationNumber;  // int
 
 // MDL Style Properties (MolFileParser)
-RDKIT_RDGENERAL_EXPORT extern const std::string molAtomMapNumber;   // int
-RDKIT_RDGENERAL_EXPORT extern const std::string molFileAlias;       // string
-RDKIT_RDGENERAL_EXPORT extern const std::string molFileValue;       // string
-RDKIT_RDGENERAL_EXPORT extern const std::string molInversionFlag;   // int
-RDKIT_RDGENERAL_EXPORT extern const std::string molParity;          // int
-RDKIT_RDGENERAL_EXPORT extern const std::string molStereoCare;      // int
-RDKIT_RDGENERAL_EXPORT extern const std::string molRxnComponent;    // int
-RDKIT_RDGENERAL_EXPORT extern const std::string molRxnRole;         // int
-RDKIT_RDGENERAL_EXPORT extern const std::string molTotValence;      // int
-RDKIT_RDGENERAL_EXPORT extern const std::string molRingBondCount;   // int
-RDKIT_RDGENERAL_EXPORT extern const std::string molSubstCount;      // int
-RDKIT_RDGENERAL_EXPORT extern const std::string molAttachPoint;     // int
-RDKIT_RDGENERAL_EXPORT extern const std::string molAttachOrder;     // int
-RDKIT_RDGENERAL_EXPORT extern const std::string molAtomClass;       // string
+RDKIT_RDGENERAL_EXPORT extern const std::string molAtomMapNumber;  // int
+RDKIT_RDGENERAL_EXPORT extern const std::string molFileAlias;      // string
+RDKIT_RDGENERAL_EXPORT extern const std::string molFileValue;      // string
+RDKIT_RDGENERAL_EXPORT extern const std::string molInversionFlag;  // int
+RDKIT_RDGENERAL_EXPORT extern const std::string molParity;         // int
+RDKIT_RDGENERAL_EXPORT extern const std::string molStereoCare;     // int
+RDKIT_RDGENERAL_EXPORT extern const std::string molRxnComponent;   // int
+RDKIT_RDGENERAL_EXPORT extern const std::string molRxnRole;        // int
+RDKIT_RDGENERAL_EXPORT extern const std::string molTotValence;     // int
+RDKIT_RDGENERAL_EXPORT extern const std::string molRingBondCount;  // int
+RDKIT_RDGENERAL_EXPORT extern const std::string molSubstCount;     // int
+RDKIT_RDGENERAL_EXPORT extern const std::string molAttachPoint;    // int
+RDKIT_RDGENERAL_EXPORT extern const std::string molAttachOrder;    // int
+RDKIT_RDGENERAL_EXPORT extern const std::string
+    molAttachOrderTemplate;  // std::vector<AtomAttchOrd>
+
+RDKIT_RDGENERAL_EXPORT extern const std::string molAtomClass;  // string
+RDKIT_RDGENERAL_EXPORT extern const std::string natReplace;    // string
+RDKIT_RDGENERAL_EXPORT extern const std::string
+    templateNames;  // vector of strings
 RDKIT_RDGENERAL_EXPORT extern const std::string molAtomSeqId;       // int
 RDKIT_RDGENERAL_EXPORT extern const std::string molRxnExactChange;  // int
 RDKIT_RDGENERAL_EXPORT extern const std::string molReactStatus;     // int
diff --git a/Docs/Book/RDKit_Book.rst b/Docs/Book/RDKit_Book.rst
index 8d537dea3..39e1f2030 100644
--- a/Docs/Book/RDKit_Book.rst
+++ b/Docs/Book/RDKit_Book.rst
@@ -2704,6 +2704,208 @@ path) enumeration algorithm used in the RDKit fingerprint. After a subgraph has
 been generated, it is used to set multiple bits based on different atom and bond
 type definitions.
 
+Self-Contained Structure Representations (SCSR) for Macromolecules
+*******************
+
+The SCSR support added to RDKit follows the description in the BIOVIA document “biovia_ctfileformats_2020.pdf” available from 
+“CTfile Formats - Dassault Systèmes”.  That document does not provide any real detail for that format, and contains one example file.
+
+In addition, Biovia Draw supports reading and writing this format.  As much as possible, the RDKit support allows the functionality
+supported by Biovia Draw.  One exception is the RDKit treatment of hydrogen bonds in SCSR files/blocks (vide infra).
+
+Representation
+==============
+
+Main mol
+--------
+An SCSR file contains a mol with a CTAB in v3000 format.   That CTAB can contain elemental atoms and macro atoms corresponding to amino acids (AA), RNA, and DNA elements.  
+The RNA and DNA elements are represented by three parts – a phosphate group, a sugar, and a base.  
+
+Each atom line in the CTAB can refer to an elemental atom or a macro atom.  Macro atom lines have a text description of the macro name and must have a CLASS and an
+ATTCHORD attributed.  They can also have an optional SEQID attribute.  
+
+According to the Biovia doc, the CLASS attribute must have a value that is one of:  AA, dAA, DNA, RNA, SUGAR, BASE, PHOSPHATE, LINKER, CHEM, LGRP, MODAA, MODdAA, MODDNA, MODRNA, XLINKAA, XLINKdAA, XLINKDNA, XLINKRNA.   
+For an SCSR mol block, (and for any SGROUP), RDKit requires that the CLASS attribute be one of these values.
+
+The SEQID is a sequential integer and is ignored by this treatment.  Typically, the three parts of an RNA or DNA element have the same SEQID.
+
+The ATTCHORD attribute must have a specification for each bond that comes from the macro atom.   The specification is contained between parentheses, and the first 
+character is a integer that indicates the number of items that follow.  Each connection is specified with the atom ID (1 offset) for the connected atom in the main
+CTAB, and a string that indicates the attachment point for this macro atom.   The attachment point string is always two characters.  
+The first indicates the order, and is a capital letter starting at A.  The second char is one of “l” (left), “r” (right), “x” (cross connections – e.g. for cysteine).  
+In this implementation, the second character can also be “h” for hydrogen bond.   
+Thus, the attach connections are almost always in the list: “Al”, “Br”, “Cx” or “Ch”.   For example::
+
+    ATTCHORD=(6 15 Br 13 Al 21 Cx)
+
+Templates
+---------
+
+Template Header
+^^^^^^^^^^^^^^^
+
+In addition to the CTAB for the main molecule, each macro atom is detailed automatically in a TEMPLATE.  The TEMPLATES are numbered and appear between a 
+BEGIN TEMPLATES line and an END TEMPLATES line. Each template starts with a TEMPLATE line that indicates the template number (1 to n), the template Class and 
+Name, and the NATREPLACE attribute.
+
+The Class and Name consists of three (or more) parts separated by forward slashes.  The first part is the CLASS, and must match the CLASS attribute in 
+one or more of the atoms in the main CTAB.  The second and third (and subsequent) items are choices for names of the macro atom template.  Typically, the 
+first name is the long form and second is the short form, as in “AA/Ala/A” for alanine.  This treatment does not enforce any restrictions on the name lengths.    
+The name given the macro atom in the main CTAB must match one of the names in one of the templates with the correct class.
+The NATREPLACE attribute specifies the natural replacement for this macro atom, and is ignored by this treatment.  Example::
+
+    M  V30 TEMPLATE 1 SUGAR/Rib/R NATREPLACE=SUGAR/R
+
+Main Template CTAB and SGROUPs
+^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
+
+After the TEMPLATE is a full CTAB with the atoms and bonds of the template.   Each CTAB must contain an SGROUP for the main macro definition atoms and bonds, 
+and one for each leaving group.  The main SGROUP for the template must have a LABEL attribute that is the same as one of the names in the TEMPLATE line, and 
+it must have a CLASS attribute that matches the TEMPLATE line class.
+
+In addition, the main SGROUP must have ATOMS, XBONDS, NATREPLACE attributes.  ATOMS is a list of all atom IDs (1-offset).  XBONDS are the IDs of the connecting 
+bonds.   NATRELACE is the natural replacement as discussed above.  The XBONDS and NATREPLACE attributes are ignored by this treatment.  
+
+The main SGROUP must also contain a list of SAP (SGROUP attachment points) attributes.  Each one is enclosed in parentheses, and starts with a “3”.  
+That is followed by two atom IDs of a bond that starts in this SGROUP and goes to an atom NOT in this SGROUP,  and this is followed by a string indicating 
+the connection name.  The connection name, as discussed above, is usually one of “Al”, “Br”, “Cx” or “Ch”.  SAPs “Al”, “Br”, “Cx” will have one SAP, and 
+“Ch” will typically have two or three distinct SAP attributes.  The order of the SAP attributes for hydrogen bonds (“Ch”) matters, and should go from the H-bond 
+atom nearest to the connecting “Al” atom to the most distant.  Hydrogen bonds do not have a leaving group, so the second ID of the designation is “0”.
+
+Example::
+
+    M  V30 2 SUP 2 ATOMS=(8 1 2 3 4 5 6 7 8) XBONDS=(1 7)-
+    M  V30 LABEL=U CLASS=BASE SAP=(3 4 9 Al) SAP=(3 8 0 Ch) SAP=(3 6 0 Ch) SAP=(3 7 0 Ch)-
+    NATREPLACE=BASE/U
+
+In addition to the main SGROUP, there will be an SGROUP that identifies each leaving group.  Most leaving groups have one atom, but they could have multiple 
+atoms.  The leaving group SGROUPS have ATOMS, XBONDS, LABEL, and CLASS attributes.   The XBONDS attribute is ignored in this treatment.   LABEL must be 
+“LGRP” (leaving group).
+
+Example::
+
+    M  V30 1 SUP 1 ATOMS=(1 11) XBONDS=(1 11) LABEL=H CLASS=LGRP
+
+ 
+Parsing SCSR files and text blocks
+==================================
+
+RDKit converts the SCSR data into a fully atomistic representation. 
+
+An SGROUP is produced in the resulting RWMol for each template and retained leaving group from the SCSRMol.  The name of each SGROUP is derived from the 
+template name, the sequence number if present, and, for leaving groups, the leaving group SAP ID (e.g. “Al”, “Br”, “Cx” or “Ch”).
+
+The following calls parse the SCSR mol or block produces a fully atomistic RDKit mol.: 
+
+  * MolFromSCSRDataStream  (stream to mol)
+  * MolFromSCSRBlock  (SCSR text block to mol)
+  * MolFromSCSRFile  (SCSR file to mol)
+
+These functions all take, in addition to the strean, text block, or file name, a MolFileParserParams and a MolFromSCSRParams parameter.  
+The MolFileParserParams parameter is used to control the parsing of the SCSR data, as is describe elsewhere in this document.  
+The MolFromSCSRParams parameter is used to control the conversion of the SCSR data into a full atomistic representation.
+
+MolFromScsrParams has three properties: 
+
+    * The “ScsrTemplateNames” property controls how the Sgoups of the expanded file are generated, and must be one of: ScsrTemplateNamesAsEntered, 
+    ScsrTemplateNamesUseFirstName, or ScsrTemplateNamesUseLastName.   If ScsrTemplateNamesAsEntered is specified, the name as referenced in the main 
+    SCSR CTAB will be used.  
+
+    * The ”includeLeavingGroups” property controls whether leaving groups that are not replaced in the main CTAB are included in the resulting atomistic file.   
+    The leaving groups that are so retained become end caps and caps on unused cross-link sites.    Setting this property to “false” causes the end caps and cross-link caps to remain unsubstituted.  This allows the results to be used as a full atom query for the sub-units from the SCSR mol.
+
+    * The "SCSRBaseHbondOptions" property controls the treatment of hydrogen bonds in the SCSR file.  This is described in the following section.
+
+Hydrogen Bonds
+-------
+
+For sense-antisense pairings in DNA and RNA, the hydrogen bonds are represented as a single hydrogen bond in the SCSR representation.   
+When converted to a full atomistic representation, each such hydrogen bond can represent up to 3 hydrogen bonds between the full-atomistic representations of 
+the Base groups.  
+
+The processing of H-bonds is contorlled by the ScsrBaseHbondOptions
+member of the ScsrMolFileParserParams parameter.  The options are:
+
+ 1. ScsrBaseHbondOptionsIgnore - if this is selected, all H-bonds are
+    ignored and not processed.
+
+ 2. ScsrBaseHbondOptionsUseSapAll = 1
+    If this is selected, all SAPs
+    for the hbond are used.  They must be defined in the template in the
+    correct order, which starts with the first atom nearest the "Al"
+    connection, and continues sequentially
+
+    If there are 3 sites on each side and they are complimentary (the
+    donors match acceptors and vice versa), we add the bonds. and
+    we are done.  THis is the standard Watson-Crick binding (“https://water.lsbu.ac.uk/water/nucleic_acid_hydration.html”)
+
+    If not, we check to check to see if they comply to a wobble bond
+    configuration. There are four generally accepted wobble bonds, and we
+    deal with these four types only.  The four known wobble bonds are:
+
+     1. I-C
+     2. I-U
+     3. I-A
+     4. G-U
+
+    "I" stands for inosine - it has only two available hbond sites . The
+    pair G-U has three sites on each end, but they are not complimentary.
+    (https://en.wikipedia.org/wiki/Wobble_base_pair#:~:text=A%20wobble%20base%20pair%20is,hypoxanthine%2Dcytosine%20(I%2DC).
+
+    For pairs that have I (inosine) or something like it, the configuration must be
+    DA, so those two atoms form the two H bonds. The other side (C,U or A)
+    has confiuration of AAD (C), ADA (U), or DAD (A). For C-type bases and
+    A type bases, the second and third atoms are used (AD), and for U
+    types, the first two atoms are used (AD).
+
+    For the GU pair, both sides have 3 atoms, but they are not
+    complimentary.  The second and third sites on the G side are used (DA),
+    and the first two sites on the U side are used (AD).
+
+    In any other case, we punt and add just one bond between the first
+    hydrogen-bond atom on both sides even if they are NOT complemenary.  This just
+    indicates that the sides are h-bonded somehow and keeps the overall
+    pairing straight.
+
+ 3. ScsrBaseHbondOptionsUseSapOne
+    If this is selected, only one SAP hbond per base is used.
+    If multiple SAPs are defined, the first hbond site is used
+    even if it is not the best.  No attempt is made to match the Donor/Acceptor 
+    status of the chosen bond sites.
+    (this just maintains the relationship between
+    the to base pairs)
+
+ 4. ScsrBaseHbondOptionsAuto
+    For bases that are C,G,A,T,U,In (and
+    derivatives) the standard Watson-Crick
+    Hbonding is used, and is determined by substructure matching.
+    No Hbond SAPs ("Ch") need to be defined in the template, and if
+    defined, they are ignored.
+
+    Processing of the H-bond sites so determined is done just as it is when ScsrBaseHbondOptionsUseSapAll is selected.
+    (see above).
+    
+Example of Peptide conversion:
+
+.. image:: images/PeptideConversion.png
+ 
+Example of DNA-RNA paired strands conversion: 
+
+.. image:: images/DnaDoubleStrand.png
+ 
+Example of “Wobble” pairing conversion:  
+
+.. image:: images/WobbleRna.png
+ 
+ Full Example of SCSR files:
+===========================
+
+ Here are two examples of SCSR files:
+
+`DnaTest3 <https://github.com/rdkit/rdkit/blob/master/Docs/Book/data/DnaTest3.mol>`_.
+
+`CrossLink.mol <https://github.com/rdkit/rdkit/blob/master/Docs/Book/data/CrossLink.mol>`_.
+
 
 Feature Flags: global variables affecting RDKit behavior
 ********************************************************
@@ -2780,3 +2982,4 @@ To view a copy of this license, visit http://creativecommons.org/licenses/by-sa/
 
 The intent of this license is similar to that of the RDKit itself.
 In simple words: “Do whatever you want with it, but please give us some credit.”
+
diff --git a/Docs/Book/data/CrossLink.mol b/Docs/Book/data/CrossLink.mol
new file mode 100644
index 000000000..184c07666
--- /dev/null
+++ b/Docs/Book/data/CrossLink.mol
@@ -0,0 +1,220 @@
+
+  -INDIGO-12312410022D
+
+  0  0  0  0  0  0  0  0  0  0  0 V3000
+M  V30 BEGIN CTAB
+M  V30 COUNTS 8 8 0 0 0
+M  V30 BEGIN ATOM
+M  V30 1 A 1.15 -3.75 0.0 0 CLASS=AA SEQID=8 ATTCHORD=(2 8 Al)
+M  V30 2 G 1.25 -1.25 0.0 0 CLASS=AA SEQID=1 ATTCHORD=(2 3 Br)
+M  V30 3 G 2.75 -1.25 0.0 0 CLASS=AA SEQID=2 ATTCHORD=(4 2 Al 4 Br)
+M  V30 4 C 4.075 -1.25 0.0 0 CLASS=AA SEQID=3 ATTCHORD=(6 3 Al 5 Br 7 Cx)
+M  V30 5 L 5.75 -1.25 0.0 0 CLASS=AA SEQID=4 ATTCHORD=(4 4 Al 6 Br)
+M  V30 6 P 6.45 -3.65 0.0 0 CLASS=AA SEQID=5 ATTCHORD=(4 5 Al 7 Br)
+M  V30 7 C 4.5 -3.675 0.0 0 CLASS=AA SEQID=6 ATTCHORD=(6 6 Al 8 Br 4 Cx)
+M  V30 8 A 3.05 -3.625 0.0 0 CLASS=AA SEQID=7 ATTCHORD=(4 7 Al 1 Br)
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 2 3
+M  V30 2 1 3 4
+M  V30 3 1 4 5
+M  V30 4 1 5 6
+M  V30 5 1 6 7
+M  V30 6 1 7 8
+M  V30 7 1 8 1
+M  V30 8 1 4 7
+M  V30 END BOND
+M  V30 END CTAB
+M  V30 BEGIN TEMPLATE
+M  V30 TEMPLATE 1 AA/Ala/A/ NATREPLACE=AA/A
+M  V30 BEGIN CTAB
+M  V30 COUNTS 7 6 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 N -1.2549 -0.392 0.0 0
+M  V30 2 C -0.272 0.2633 0.0 0 CFG=1
+M  V30 3 C -0.3103 1.7393 0.0 0
+M  V30 4 C 1.0523 -0.392 0.0 0
+M  V30 5 O 1.0829 -1.5722 0.0 0
+M  V30 6 O 2.0353 0.2633 0.0 0
+M  V30 7 H -2.3334 0.0905 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 2 1
+M  V30 2 1 2 3 CFG=1
+M  V30 3 1 2 4
+M  V30 4 2 4 5
+M  V30 5 1 4 6
+M  V30 6 1 1 7
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 2)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 7) XBONDS=(1 6) BRKXYZ=(9 0.539250 -0.241250 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 6) XBONDS=(1 5) BRKXYZ=(9 -0.491500 -0.327650 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(5 1 2 3 4 5) XBONDS=(2 6 5) BRKXYZ=(9 -0.539250 0.24125-
+M  V30 0 0.000000 0.491500 0.327650 0.000000 0.000000 0.000000 0.000000) LABE-
+M  V30 L=A CLASS=AA SAP=(3 1 7 Al) SAP=(3 4 6 Br) NATREPLACE=AA/A
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 2 AA/Gly/G/ NATREPLACE=AA/G
+M  V30 BEGIN CTAB
+M  V30 COUNTS 6 5 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C -0.3363 0.5346 0.0 0
+M  V30 2 C 0.9929 -0.1107 0.0 0
+M  V30 3 O 1.0782 -1.289 0.0 0
+M  V30 4 O 1.9709 0.552 0.0 0
+M  V30 5 N -1.326 -0.1107 0.0 0
+M  V30 6 H -2.3797 0.4238 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 2 2 3
+M  V30 3 1 2 4
+M  V30 4 1 1 5
+M  V30 5 1 5 6
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 6) XBONDS=(1 5) BRKXYZ=(9 0.526850 -0.267250 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 4) XBONDS=(1 3) BRKXYZ=(9 -0.489000 -0.331350 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(4 1 2 3 5) XBONDS=(2 3 5) BRKXYZ=(9 0.489000 0.331350 0-
+M  V30 .000000 -0.526850 0.267250 0.000000 0.000000 0.000000 0.000000) LABEL=-
+M  V30 G CLASS=AA SAP=(3 5 6 Al) SAP=(3 2 4 Br) NATREPLACE=AA/G
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 3 AA/Cys/C/ NATREPLACE=AA/C
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 8 4 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.4457 -1.1333 0.0 0
+M  V30 2 C 0.1453 -0.384 0.0 0 CFG=2
+M  V30 3 C 0.143 1.1168 0.0 0
+M  V30 4 S -1.1573 1.8661 0.0 0
+M  V30 5 N -1.1551 -1.1333 0.0 0
+M  V30 6 O 1.4475 -2.3333 0.0 0
+M  V30 7 O 2.4842 -0.532 0.0 0
+M  V30 8 H -2.1942 -0.5331 0.0 0
+M  V30 9 H -1.1591 3.0661 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 6 1
+M  V30 2 1 1 2
+M  V30 3 1 1 7
+M  V30 4 1 2 5
+M  V30 5 1 2 3 CFG=1
+M  V30 6 1 3 4
+M  V30 7 1 5 8
+M  V30 8 1 4 9
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 2)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 8) XBONDS=(1 7) BRKXYZ=(9 0.519550 -0.300100 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 7) XBONDS=(1 3) BRKXYZ=(9 -0.519250 -0.300650 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(1 9) XBONDS=(1 8) BRKXYZ=(9 0.000900 -0.600000 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
+M  V30 LGRP
+M  V30 4 SUP 4 ATOMS=(6 1 2 3 4 5 6) XBONDS=(3 3 8 7) BRKXYZ=(9 0.519250 0.30-
+M  V30 0650 0.000000 -0.000900 0.600000 0.000000 0.000000 0.000000 0.000000) -
+M  V30 BRKXYZ=(9 -0.519550 0.300100 0.000000 0.000000 0.000000 0.000000 0.000-
+M  V30 000 0.000000 0.000000) LABEL=C CLASS=AA SAP=(3 5 8 Al) SAP=(3 1 7 Br) -
+M  V30 SAP=(3 4 9 Cx) NATREPLACE=AA/C
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 4 AA/Leu/L/ NATREPLACE=AA/L
+M  V30 BEGIN CTAB
+M  V30 COUNTS 10 9 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 0.3626 0.9903 0.0 0
+M  V30 2 C -0.9395 2.9396 0.0 0
+M  V30 3 C -0.9377 1.7396 0.0 0
+M  V30 4 C -1.9763 1.1383 0.0 0
+M  V30 5 C 0.3649 -0.5105 0.0 0 CFG=1
+M  V30 6 C 1.6653 -1.2598 0.0 0
+M  V30 7 O 1.6671 -2.4598 0.0 0
+M  V30 8 N -0.9355 -1.2598 0.0 0
+M  V30 9 O 2.7038 -0.6585 0.0 0
+M  V30 10 H -1.9746 -0.6596 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 3 1
+M  V30 2 1 5 1 CFG=1
+M  V30 3 1 3 2
+M  V30 4 1 3 4
+M  V30 5 1 5 8
+M  V30 6 1 5 6
+M  V30 7 2 6 7
+M  V30 8 1 6 9
+M  V30 9 1 8 10
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 5)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 10) XBONDS=(1 9) BRKXYZ=(9 0.519550 -0.300100 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS-
+M  V30 =LGRP
+M  V30 2 SUP 2 ATOMS=(1 9) XBONDS=(1 8) BRKXYZ=(9 -0.519250 -0.300650 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(8 1 2 3 4 5 6 7 8) XBONDS=(2 8 9) BRKXYZ=(9 0.519250 0.-
+M  V30 300650 0.000000 -0.519550 0.300100 0.000000 0.000000 0.000000 0.000000-
+M  V30 ) LABEL=L CLASS=AA SAP=(3 8 10 Al) SAP=(3 6 9 Br) NATREPLACE=AA/L
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 5 AA/Pro/P/ NATREPLACE=AA/P
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 9 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 0.0018 1.6555 0.0 0
+M  V30 2 C -1.4799 1.889 0.0 0
+M  V30 3 C -2.1599 0.5519 0.0 0
+M  V30 4 N -1.0984 -0.5079 0.0 0
+M  V30 5 C 0.2376 0.1741 0.0 0 CFG=2
+M  V30 6 C 1.5717 -0.5079 0.0 0
+M  V30 7 O 1.6336 -1.7063 0.0 0
+M  V30 8 O 2.5787 0.1448 0.0 0
+M  V30 9 H -1.2852 -1.6933 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 1 5 1 CFG=1
+M  V30 3 1 2 3
+M  V30 4 1 3 4
+M  V30 5 1 4 5
+M  V30 6 1 5 6
+M  V30 7 2 6 7
+M  V30 8 1 6 8
+M  V30 9 1 4 9
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(1 5)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 9) XBONDS=(1 9) BRKXYZ=(9 0.093400 0.592700 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=L-
+M  V30 GRP
+M  V30 2 SUP 2 ATOMS=(1 8) XBONDS=(1 8) BRKXYZ=(9 -0.503500 -0.326350 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(7 1 2 3 4 5 6 7) XBONDS=(2 9 8) BRKXYZ=(9 -0.093400 -0.-
+M  V30 592700 0.000000 0.503500 0.326350 0.000000 0.000000 0.000000 0.000000)-
+M  V30  LABEL=P CLASS=AA SAP=(3 4 9 Al) SAP=(3 6 8 Br) NATREPLACE=AA/P
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 END TEMPLATE
+M  END
diff --git a/Docs/Book/data/DnaTest3.mol b/Docs/Book/data/DnaTest3.mol
new file mode 100644
index 000000000..7032488d6
--- /dev/null
+++ b/Docs/Book/data/DnaTest3.mol
@@ -0,0 +1,374 @@
+
+  -INDIGO-01232511012D
+
+  0  0  0  0  0  0  0  0  0  0  0 V3000
+M  V30 BEGIN CTAB
+M  V30 COUNTS 22 24 0 0 0
+M  V30 BEGIN ATOM
+M  V30 1 dR 1.25 -1.25 0.0 0 CLASS=SUGAR SEQID=1 ATTCHORD=(4 2 Cx 5 Br)
+M  V30 2 A 1.25 -2.75 0.0 0 CLASS=BASE SEQID=1 ATTCHORD=(4 1 Al 11 Ch)
+M  V30 3 dR 4.25 -1.25 0.0 0 CLASS=SUGAR SEQID=2 ATTCHORD=(6 4 Cx 5 Al 8 Br)
+M  V30 4 C 4.25 -2.75 0.0 0 CLASS=BASE SEQID=2 ATTCHORD=(4 3 Al 14 Ch)
+M  V30 5 P 2.75 -1.25 0.0 0 CLASS=PHOSPHATE SEQID=1 ATTCHORD=(4 1 Al 3 Br)
+M  V30 6 dR 7.25 -1.25 0.0 0 CLASS=SUGAR SEQID=3 ATTCHORD=(6 7 Cx 8 Al 10 Br)
+M  V30 7 T 7.25 -2.75 0.0 0 CLASS=BASE SEQID=3 ATTCHORD=(4 6 Al 17 Ch)
+M  V30 8 P 5.75 -1.25 0.0 0 CLASS=PHOSPHATE SEQID=2 ATTCHORD=(4 6 Br 3 Al)
+M  V30 9 dR 10.25 -1.25 0.0 0 CLASS=SUGAR SEQID=4 ATTCHORD=(4 10 Al 21 Cx)
+M  V30 10 P 8.75 -1.25 0.0 0 CLASS=PHOSPHATE SEQID=3 ATTCHORD=(4 6 Al 9 Br)
+M  V30 11 U 1.25 -4.25 0.0 0 CLASS=BASE SEQID=1 ATTCHORD=(4 12 Al 2 Ch)
+M  V30 12 R 1.25 -5.75 0.0 0 CLASS=SUGAR SEQID=1 ATTCHORD=(4 11 Cx 13 Br)
+M  V30 13 P 2.75 -5.75 0.0 0 CLASS=PHOSPHATE SEQID=1 ATTCHORD=(4 12 Al 15 Br)
+M  V30 14 G 4.25 -4.25 0.0 0 CLASS=BASE SEQID=2 ATTCHORD=(4 15 Al 4 Ch)
+M  V30 15 R 4.25 -5.75 0.0 0 CLASS=SUGAR SEQID=2 ATTCHORD=(6 14 Cx 13 Al 16 B-
+M  V30 r)
+M  V30 16 P 5.75 -5.75 0.0 0 CLASS=PHOSPHATE SEQID=2 ATTCHORD=(4 18 Br 15 Al)
+M  V30 17 A 7.25 -4.25 0.0 0 CLASS=BASE SEQID=3 ATTCHORD=(4 18 Al 7 Ch)
+M  V30 18 R 7.25 -5.75 0.0 0 CLASS=SUGAR SEQID=3 ATTCHORD=(6 17 Cx 19 Br 16 A-
+M  V30 l)
+M  V30 19 P 8.75 -5.75 0.0 0 CLASS=PHOSPHATE SEQID=3 ATTCHORD=(4 18 Al 20 Br)
+M  V30 20 R 10.25 -5.75 0.0 0 CLASS=SUGAR SEQID=4 ATTCHORD=(4 19 Al 22 Cx)
+M  V30 21 G 10.25 -2.75 0.0 0 CLASS=BASE SEQID=4 ATTCHORD=(4 9 Al 22 Ch)
+M  V30 22 U 10.25 -4.25 0.0 0 CLASS=BASE SEQID=4 ATTCHORD=(4 20 Al 21 Ch)
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 1 3 4
+M  V30 3 1 1 5
+M  V30 4 1 5 3
+M  V30 5 1 6 7
+M  V30 6 1 8 6
+M  V30 7 1 6 10
+M  V30 8 1 10 9
+M  V30 9 1 11 12
+M  V30 10 1 12 13
+M  V30 11 10 2 11
+M  V30 12 1 14 15
+M  V30 13 1 13 15
+M  V30 14 10 4 14
+M  V30 15 1 17 18
+M  V30 16 1 18 19
+M  V30 17 1 16 18
+M  V30 18 10 7 17
+M  V30 19 1 19 20
+M  V30 20 1 22 20
+M  V30 21 1 9 21
+M  V30 22 10 21 22
+M  V30 23 1 3 8
+M  V30 24 1 15 16
+M  V30 END BOND
+M  V30 END CTAB
+M  V30 BEGIN TEMPLATE
+M  V30 TEMPLATE 1 SUGAR/dRib/dR NATREPLACE=SUGAR/R
+M  V30 BEGIN CTAB
+M  V30 COUNTS 11 11 4 0 0
+M  V30 BEGIN ATOM
+M  V30 1 O -0.8788 -1.208 0.0 0
+M  V30 2 C -0.3668 0.2019 0.0 0 CFG=1
+M  V30 3 C 0.3038 -2.1307 0.0 0 CFG=2
+M  V30 4 C 1.1323 0.1506 0.0 0 CFG=2
+M  V30 5 C 1.5468 -1.291 0.0 0
+M  V30 6 O 2.0515 1.3338 0.0 0
+M  V30 7 C -1.2081 1.4417 0.0 0
+M  V30 8 O 0.2628 -3.3299 0.0 0
+M  V30 9 O -2.705 1.3338 0.0 0
+M  V30 10 H -3.3788 2.3267 0.0 0
+M  V30 11 H 3.2403 1.1709 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 1 1 3
+M  V30 3 1 2 4
+M  V30 4 1 2 7 CFG=3
+M  V30 5 1 3 5
+M  V30 6 1 3 8 CFG=3
+M  V30 7 1 4 5
+M  V30 8 1 4 6 CFG=1
+M  V30 9 1 6 11
+M  V30 10 1 7 9
+M  V30 11 1 9 10
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(3 2 3 4)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 10) XBONDS=(1 11) BRKXYZ=(9 0.336900 -0.496450 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
+M  V30 S=LGRP
+M  V30 2 SUP 2 ATOMS=(1 11) XBONDS=(1 9) BRKXYZ=(9 -0.594400 0.081450 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS-
+M  V30 =LGRP
+M  V30 3 SUP 3 ATOMS=(1 8) XBONDS=(1 6) BRKXYZ=(9 0.020500 0.599600 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLASS=-
+M  V30 LGRP
+M  V30 4 SUP 4 ATOMS=(8 1 2 3 4 5 6 7 9) XBONDS=(3 6 9 11) BRKXYZ=(9 -0.02050-
+M  V30 0 -0.599600 0.000000 0.594400 -0.081450 0.000000 0.000000 0.000000 0.0-
+M  V30 00000) BRKXYZ=(9 -0.336900 0.496450 0.000000 0.000000 0.000000 0.00000-
+M  V30 0 0.000000 0.000000 0.000000) LABEL=dR CLASS=SUGAR SAP=(3 9 10 Al) SAP-
+M  V30 =(3 6 11 Br) SAP=(3 3 8 Cx) NATREPLACE=SUGAR/R
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 2 BASE/Ade/A NATREPLACE=BASE/A
+M  V30 BEGIN CTAB
+M  V30 COUNTS 11 12 2 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.0354 0.2498 0.0 0
+M  V30 2 C -0.0792 -0.754 0.0 0
+M  V30 3 C -1.5057 -0.2906 0.0 0
+M  V30 4 N -1.8177 1.1766 0.0 0
+M  V30 5 C -0.7031 2.1804 0.0 0
+M  V30 6 N 0.7235 1.717 0.0 0
+M  V30 7 N -2.3871 -1.5034 0.0 0
+M  V30 8 C -1.5053 -2.7168 0.0 0
+M  V30 9 N -0.0787 -2.2532 0.0 0
+M  V30 10 N 2.1768 -0.1209 0.0 0
+M  V30 11 H -3.5871 -1.5034 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 10
+M  V30 2 2 1 6
+M  V30 3 1 1 2
+M  V30 4 1 9 2
+M  V30 5 2 2 3
+M  V30 6 1 7 3
+M  V30 7 1 3 4
+M  V30 8 2 4 5
+M  V30 9 1 5 6
+M  V30 10 1 7 8
+M  V30 11 1 7 11
+M  V30 12 2 8 9
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 11) XBONDS=(1 11) BRKXYZ=(9 0.600000 0.000000 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS-
+M  V30 =LGRP
+M  V30 2 SUP 2 ATOMS=(10 1 2 3 4 5 6 7 8 9 10) XBONDS=(1 11) BRKXYZ=(9 -0.600-
+M  V30 000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.0-
+M  V30 00000) LABEL=A CLASS=BASE SAP=(3 7 11 Al) SAP=(3 5 0 Ch) SAP=(3 6 0 Ch) SAP=(3 10 0 Ch) NATREPLACE=BASE/A
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 3 BASE/Cyt/C NATREPLACE=BASE/C
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 9 2 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.8617 1.3499 0.0 0
+M  V30 2 C 1.1117 2.6489 0.0 0
+M  V30 3 C -0.3882 2.649 0.0 0
+M  V30 4 N -1.1382 1.35 0.0 0
+M  V30 5 C -0.3883 0.0509 0.0 0
+M  V30 6 N 1.1117 0.0509 0.0 0
+M  V30 7 N 3.0618 1.3499 0.0 0
+M  V30 8 O -0.9884 -0.9883 0.0 0
+M  V30 9 H -2.3383 1.35 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 2 1 6
+M  V30 3 1 1 7
+M  V30 4 2 2 3
+M  V30 5 1 3 4
+M  V30 6 1 4 5
+M  V30 7 1 4 9
+M  V30 8 1 5 6
+M  V30 9 2 5 8
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 9) XBONDS=(1 7) BRKXYZ=(9 0.600050 0.000000 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=L-
+M  V30 GRP
+M  V30 2 SUP 2 ATOMS=(8 1 2 3 4 5 6 7 8) XBONDS=(1 7) BRKXYZ=(9 -0.600050 0.0-
+M  V30 00000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) -
+M  V30 LABEL=C CLASS=BASE SAP=(3 4 9 Al) SAP=(3 8 0 Ch) SAP=(3 6 0 Ch) SAP=(3 7 0 Ch)  NATREPLACE=BASE/C
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 4 PHOSPHATE/P/P NATREPLACE=PHOSPHATE/P
+M  V30 BEGIN CTAB
+M  V30 COUNTS 5 4 3 0 0
+M  V30 BEGIN ATOM
+M  V30 1 P -0.2399 0.0 0.0 0
+M  V30 2 O -1.4399 0.0 0.0 0
+M  V30 3 O 0.3598 -1.0394 0.0 0
+M  V30 4 O 0.9601 0.0 0.0 0
+M  V30 5 O 0.3598 1.0394 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 2 1 3
+M  V30 3 1 1 4
+M  V30 4 1 1 5
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 2) XBONDS=(1 1) BRKXYZ=(9 0.600000 0.000000 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLASS=-
+M  V30 LGRP
+M  V30 2 SUP 2 ATOMS=(1 4) XBONDS=(1 3) BRKXYZ=(9 -0.600000 0.000000 0.000000-
+M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLASS-
+M  V30 =LGRP
+M  V30 3 SUP 3 ATOMS=(3 1 3 5) XBONDS=(2 1 3) BRKXYZ=(9 -0.600000 0.000000 0.-
+M  V30 000000 0.600000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=P -
+M  V30 CLASS=PHOSPHATE SAP=(3 1 2 Al) SAP=(3 1 4 Br) NATREPLACE=PHOSPHATE/P
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 5 BASE/Thy/T NATREPLACE=BASE/T
+M  V30 BEGIN CTAB
+M  V30 COUNTS 10 10 2 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.8617 1.3499 0.0 0
+M  V30 2 C 1.1117 0.0509 0.0 0
+M  V30 3 C -0.3883 0.0509 0.0 0
+M  V30 4 N -1.1382 1.35 0.0 0
+M  V30 5 C -0.3882 2.649 0.0 0
+M  V30 6 N 1.1117 2.6489 0.0 0
+M  V30 7 O 3.0618 1.3499 0.0 0
+M  V30 8 O -0.9882 3.6882 0.0 0
+M  V30 9 H -2.3383 1.35 0.0 0
+M  V30 10 C 1.7117 -0.9884 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 1 7
+M  V30 2 1 1 6
+M  V30 3 1 1 2
+M  V30 4 2 2 3
+M  V30 5 1 3 4
+M  V30 6 1 4 5
+M  V30 7 1 4 9
+M  V30 8 2 5 8
+M  V30 9 1 5 6
+M  V30 10 1 2 10
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 9) XBONDS=(1 7) BRKXYZ=(9 0.600050 0.000000 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=L-
+M  V30 GRP
+M  V30 2 SUP 2 ATOMS=(9 1 2 3 4 5 6 7 8 10) XBONDS=(1 7) BRKXYZ=(9 -0.600050 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.00000-
+M  V30 0) LABEL=T CLASS=BASE SAP=(3 4 9 Al) SAP=(3 8 0 Ch) SAP=(3 6 0 Ch) SAP=(3 7 0 Ch) NATREPLACE=BASE/T
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 6 BASE/Ura/U NATREPLACE=BASE/U
+M  V30 BEGIN CTAB
+M  V30 COUNTS 9 9 2 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.8617 1.3499 0.0 0
+M  V30 2 C 1.1117 0.0509 0.0 0
+M  V30 3 C -0.3883 0.0509 0.0 0
+M  V30 4 N -1.1382 1.35 0.0 0
+M  V30 5 C -0.3882 2.649 0.0 0
+M  V30 6 N 1.1117 2.6489 0.0 0
+M  V30 7 O 3.0618 1.3499 0.0 0
+M  V30 8 O -0.9882 3.6882 0.0 0
+M  V30 9 H -2.3383 1.35 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 1 7
+M  V30 2 1 1 6
+M  V30 3 1 1 2
+M  V30 4 2 2 3
+M  V30 5 1 3 4
+M  V30 6 1 4 5
+M  V30 7 1 4 9
+M  V30 8 2 5 8
+M  V30 9 1 5 6
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 9) XBONDS=(1 7) BRKXYZ=(9 0.600050 0.000000 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=L-
+M  V30 GRP
+M  V30 2 SUP 2 ATOMS=(8 1 2 3 4 5 6 7 8) XBONDS=(1 7) BRKXYZ=(9 -0.600050 0.0-
+M  V30 00000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) -
+M  V30 LABEL=U CLASS=BASE SAP=(3 4 9 Al) SAP=(3 8 0 Ch) SAP=(3 6 0 Ch) SAP=(3 7 0 Ch) NATREPLACE=BASE/U
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 7 SUGAR/Rib/R NATREPLACE=SUGAR/R
+M  V30 BEGIN CTAB
+M  V30 COUNTS 12 12 4 0 0
+M  V30 BEGIN ATOM
+M  V30 1 O -1.1017 -1.0663 0.0 0
+M  V30 2 C -0.5897 0.3436 0.0 0 CFG=1
+M  V30 3 C 0.0809 -1.9889 0.0 0 CFG=2
+M  V30 4 C 0.9095 0.2924 0.0 0 CFG=2
+M  V30 5 C 1.3239 -1.1493 0.0 0 CFG=1
+M  V30 6 O 1.8285 1.4755 0.0 0
+M  V30 7 O 2.4518 -1.5589 0.0 0
+M  V30 8 C -1.431 1.5834 0.0 0
+M  V30 9 O 0.0399 -3.1881 0.0 0
+M  V30 10 O -2.9279 1.4755 0.0 0
+M  V30 11 H -3.6017 2.4684 0.0 0
+M  V30 12 H 3.0174 1.3125 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 1 1 2
+M  V30 2 1 1 3
+M  V30 3 1 2 4
+M  V30 4 1 2 8 CFG=3
+M  V30 5 1 3 5
+M  V30 6 1 3 9 CFG=3
+M  V30 7 1 4 5
+M  V30 8 1 4 6 CFG=1
+M  V30 9 1 5 7 CFG=1
+M  V30 10 1 6 12
+M  V30 11 1 8 10
+M  V30 12 1 10 11
+M  V30 END BOND
+M  V30 BEGIN COLLECTION
+M  V30 MDLV30/STEABS ATOMS=(4 2 3 4 5)
+M  V30 END COLLECTION
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 11) XBONDS=(1 12) BRKXYZ=(9 0.336900 -0.496450 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
+M  V30 S=LGRP
+M  V30 2 SUP 2 ATOMS=(1 12) XBONDS=(1 10) BRKXYZ=(9 -0.594450 0.081500 0.0000-
+M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
+M  V30 S=LGRP
+M  V30 3 SUP 3 ATOMS=(1 9) XBONDS=(1 6) BRKXYZ=(9 0.020500 0.599600 0.000000 -
+M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLASS=-
+M  V30 LGRP
+M  V30 4 SUP 4 ATOMS=(9 1 2 3 4 5 6 7 8 10) XBONDS=(3 6 10 12) BRKXYZ=(9 -0.0-
+M  V30 20500 -0.599600 0.000000 0.594450 -0.081500 0.000000 0.000000 0.000000-
+M  V30  0.000000) BRKXYZ=(9 -0.336900 0.496450 0.000000 0.000000 0.000000 0.0-
+M  V30 00000 0.000000 0.000000 0.000000) LABEL=R CLASS=SUGAR SAP=(3 10 11 Al)-
+M  V30  SAP=(3 6 12 Br) SAP=(3 3 9 Cx) NATREPLACE=SUGAR/R
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 TEMPLATE 8 BASE/Gua/G NATREPLACE=BASE/G
+M  V30 BEGIN CTAB
+M  V30 COUNTS 12 13 2 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 1.0354 0.2498 0.0 0
+M  V30 2 C -0.0792 -0.754 0.0 0
+M  V30 3 C -1.5057 -0.2906 0.0 0
+M  V30 4 N -1.8177 1.1766 0.0 0
+M  V30 5 C -0.7031 2.1804 0.0 0
+M  V30 6 N 0.7235 1.717 0.0 0
+M  V30 7 N -2.3871 -1.5034 0.0 0
+M  V30 8 C -1.5053 -2.7168 0.0 0
+M  V30 9 N -0.0787 -2.2532 0.0 0
+M  V30 10 O 2.1768 -0.1209 0.0 0
+M  V30 11 N -0.9527 3.3542 0.0 0
+M  V30 12 H -3.5871 -1.5034 0.0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 1 10
+M  V30 2 1 1 6
+M  V30 3 1 1 2
+M  V30 4 1 9 2
+M  V30 5 2 2 3
+M  V30 6 1 7 3
+M  V30 7 1 3 4
+M  V30 8 2 4 5
+M  V30 9 1 5 6
+M  V30 10 1 5 11
+M  V30 11 1 7 8
+M  V30 12 1 7 12
+M  V30 13 2 8 9
+M  V30 END BOND
+M  V30 BEGIN SGROUP
+M  V30 1 SUP 1 ATOMS=(1 12) XBONDS=(1 12) BRKXYZ=(9 0.600000 0.000000 0.00000-
+M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS-
+M  V30 =LGRP
+M  V30 2 SUP 2 ATOMS=(11 1 2 3 4 5 6 7 8 9 10 11) XBONDS=(1 12) BRKXYZ=(9 -0.-
+M  V30 600000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -
+M  V30 0.000000) LABEL=G CLASS=BASE SAP=(3 7 12 Al) SAP=(3 11 0 Ch) SAP=(3 6 0 Ch) SAP=(3 10 0 Ch) NATREPLACE=BASE/G
+M  V30 END SGROUP
+M  V30 END CTAB
+M  V30 END TEMPLATE
+M  END
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