fragmenstein/demo/mpro_mols/Mpro-6xb0.mol
RDKit 3D
8 7 0 0 0 0 0 0 0 0999 V2000
6.3590 -5.0420 17.0070 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7710 -5.3760 16.9150 C 0 0 2 0 0 0 0 0 0 0 0 0
7.9560 -6.7280 16.2460 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2100 -7.6710 16.4200 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4580 -5.3540 18.2900 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3040 -3.7520 19.0070 S 0 0 0 0 0 0 0 0 0 0 0 0
7.0770 -4.0130 20.2030 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9580 -4.8900 19.7340 O 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 1
3 2 1 0
4 3 1 0
5 2 1 0
6 5 1 0
7 6 1 0
8 7 1 0
M END