fragmenstein/demo/mpro_mols/Mpro-x0195.mol
x0195
RDKit 3D
15 16 0 0 0 0 0 0 0 0999 V2000
9.9310 -0.4260 24.9130 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0810 -0.3760 24.0410 N 0 0 0 0 0 0 0 0 0 0 0 0
11.7170 -1.6060 23.6690 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7250 -1.4980 22.5650 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6780 -0.3460 22.8090 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9020 0.9860 23.0440 C 0 0 0 0 0 0 0 0 0 0 0 0
13.4540 2.2170 22.6390 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7450 3.4030 22.8440 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4760 3.3390 23.4510 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9240 2.1250 23.8470 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6390 0.9300 23.6370 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5260 4.8390 23.7500 S 0 0 2 0 0 0 0 0 0 0 0 0
10.0170 4.7610 25.1140 O 0 0 0 0 0 0 0 0 0 0 0 0
9.2830 4.8770 22.9780 O 0 0 0 0 0 0 0 0 0 0 0 0
11.4960 6.2120 23.4820 N 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
2 11 1 0
6 11 2 0
10 11 1 0
9 12 1 0
12 13 2 0
12 14 2 0
12 15 1 1
M END