mirror of
https://github.com/rdkit/rdkit.git
synced 2026-06-07 22:44:25 +08:00
22 lines
434 B
Plaintext
22 lines
434 B
Plaintext
bond-query.mol
|
|
Mrv0541 05231408192D
|
|
|
|
0 0 0 0 0 999 V3000
|
|
M V30 BEGIN CTAB
|
|
M V30 COUNTS 5 4 0 0 0
|
|
M V30 BEGIN ATOM
|
|
M V30 1 C -2.6675 -0.3849 0 0
|
|
M V30 2 C -1.3338 0.3849 0 0
|
|
M V30 3 C 0 -0.3849 0 0
|
|
M V30 4 C 1.3338 0.3849 0 0
|
|
M V30 5 C 2.6675 -0.3849 0 0
|
|
M V30 END ATOM
|
|
M V30 BEGIN BOND
|
|
M V30 1 1 1 2
|
|
M V30 2 5 2 3 TOPO=2
|
|
M V30 3 1 3 4
|
|
M V30 4 2 4 5
|
|
M V30 END BOND
|
|
M V30 END CTAB
|
|
M END
|