mirror of
https://github.com/rdkit/rdkit.git
synced 2026-06-04 21:54:27 +08:00
c59d586431
* does not yet really work * tests pass * store the info about the attachment points in case we want to use it later. * add a couple more tests; changes in response to review
21 lines
419 B
Plaintext
21 lines
419 B
Plaintext
|
|
Mrv1805 09141811042D
|
|
|
|
0 0 0 0 0 999 V3000
|
|
M V30 BEGIN CTAB
|
|
M V30 COUNTS 5 3 0 0 0
|
|
M V30 BEGIN ATOM
|
|
M V30 1 * -8.4163 0.715 0 0
|
|
M V30 2 Fe -8.4163 -1.595 0 0
|
|
M V30 3 C -9.75 0.4583 0 0
|
|
M V30 4 C -8.4163 1.2283 0 0
|
|
M V30 5 C -7.0826 0.4583 0 0
|
|
M V30 END ATOM
|
|
M V30 BEGIN BOND
|
|
M V30 1 1 1 2 ENDPTS=(3 5 4 3) ATTACH=ANY
|
|
M V30 2 4 4 5
|
|
M V30 3 4 3 4
|
|
M V30 END BOND
|
|
M V30 END CTAB
|
|
M END
|