fragmenstein/demo/mpro_mols/Mpro-x0995.mol
x0995
RDKit 3D
7 7 0 0 0 0 0 0 0 0999 V2000
3.7000 2.0980 19.5460 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6670 1.2610 19.1410 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1070 0.1800 19.9470 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0330 -0.6950 19.5290 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5510 -0.4730 18.2740 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2180 0.5280 17.4370 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2800 1.3840 17.8650 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 2 0
5 6 1 0
2 7 1 0
6 7 2 0
M END