fragmenstein/demo/mpro_mols/Mpro-x1187.mol
x1187
RDKit 3D
15 16 0 0 0 0 0 0 0 0999 V2000
7.6330 -0.6130 -4.8580 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6730 -1.2520 -5.7710 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1180 -2.4410 -5.5770 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2990 -2.6690 -6.6220 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3860 -1.5490 -7.4610 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6310 -1.3170 -8.7920 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6410 -0.2310 -9.2530 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8890 -2.4060 -9.4580 N 0 0 0 0 0 0 0 0 0 0 0 0
3.1660 -2.1530 -10.7330 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0440 -2.5570 -11.8780 C 0 0 2 0 0 0 0 0 0 0 0 0
3.3170 -2.2010 -13.3230 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7640 -3.0590 -14.1770 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2760 -4.2950 -13.3430 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2320 -3.8490 -11.8600 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2110 -0.7120 -6.9240 N 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 1 0
6 7 2 0
6 8 1 0
8 9 1 0
10 9 1 1
10 11 1 0
11 12 1 0
12 13 1 0
10 14 1 0
13 14 1 0
2 15 1 0
5 15 2 0
M END