fragmenstein/demo/mpro_mols/Mpro-x1002.mol
x1002
RDKit 3D
7 7 0 0 0 0 0 0 0 0999 V2000
12.9700 -27.3260 3.8790 N 0 0 0 0 0 0 0 0 0 0 0 0
11.8590 -26.6240 3.4770 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7500 -27.3320 3.1610 O 0 0 0 0 0 0 0 0 0 0 0 0
11.8030 -25.2170 3.3450 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9640 -24.5120 3.6430 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1210 -25.1970 4.0490 C 0 0 0 0 0 0 0 0 0 0 0 0
14.0750 -26.5920 4.1520 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
2 4 1 0
4 5 2 0
5 6 1 0
1 7 1 0
6 7 2 0
M END