File size: 1,456 Bytes
cc37699 e654599 cc37699 | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 | 6c85_ligand
RDKit 3D
16 16 0 0 0 0 0 0 0 0999 V2000
-0.6214 2.4429 0.6560 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3781 1.2418 0.5708 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9925 0.6833 0.8795 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4541 0.2332 0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9925 -0.6833 -0.8795 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3781 -1.2418 -0.5708 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6214 -2.4429 -0.6561 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4541 -0.2332 -0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9250 0.1412 1.8294 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7005 1.5084 1.0078 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6700 -0.3361 1.1490 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3667 0.7603 -0.0586 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9250 -0.1412 -1.8294 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7005 -1.5084 -1.0078 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6700 0.3361 -1.1490 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3667 -0.7603 0.0586 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
2 4 1 0
3 8 1 0
4 5 1 0
5 6 1 0
6 7 2 0
6 8 1 0
3 9 1 0
3 10 1 0
4 11 1 0
4 12 1 0
5 13 1 0
5 14 1 0
8 15 1 0
8 16 1 0
M END
> <_TriposChargeType> (1)
GAST_HUCK
$$$$
|