fragmenstein/demo/mpro_mols/Mpro-x1012.mol
x1012
RDKit 3D
7 7 0 0 0 0 0 0 0 0999 V2000
24.5590 -7.7660 5.2020 C 0 0 2 0 0 0 0 0 0 0 0 0
24.7000 -7.2670 3.9170 O 0 0 0 0 0 0 0 0 0 0 0 0
23.4880 -8.8820 5.2180 C 0 0 0 0 0 0 0 0 0 0 0 0
21.2750 -7.5770 5.4870 O 0 0 0 0 0 0 0 0 0 0 0 0
23.6810 -6.8310 6.0630 C 0 0 0 0 0 0 0 0 0 0 0 0
22.2720 -8.4040 7.4980 O 0 0 0 0 0 0 0 0 0 0 0 0
22.4310 -7.9600 6.1850 S 0 0 2 0 0 0 0 0 0 0 0 0
1 2 1 6
1 3 1 0
1 5 1 0
7 3 1 6
4 7 2 0
5 7 1 0
6 7 2 0
M END