fragmenstein/demo/mpro_mols/Mpro-6yt8.mol
RDKit 3D
9 10 0 0 0 0 0 0 0 0999 V2000
6.6020 -4.0420 22.8900 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6030 -3.7130 23.8220 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6400 -4.6850 24.1430 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7210 -5.9430 23.5150 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7380 -6.1980 22.6030 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6570 -5.2390 22.3150 N 0 0 0 0 0 0 0 0 0 0 0 0
7.6560 -5.5610 21.3930 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8480 -2.8490 22.4460 S 0 0 0 0 0 0 0 0 0 0 0 0
8.9460 -4.0000 21.0880 Zn 0 0 0 0 0 2 0 0 0 0 0 0
2 1 1 0
3 2 1 0
4 3 1 0
5 4 1 0
6 5 1 0
6 1 1 0
7 6 1 0
8 1 1 0
9 7 1 0
9 8 1 0
M END