fragmenstein/demo/mpro_mols/Mpro-x10392.mol
x10392
RDKit 3D
20 22 0 0 0 0 0 0 0 0999 V2000
6.7880 0.6240 17.6340 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2860 0.5880 21.6780 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2270 0.7520 21.2600 O 0 0 0 0 0 0 0 0 0 0 0 0
14.3070 -1.4820 21.1340 Cl 0 0 0 0 0 0 0 0 0 0 0 0
5.8020 0.5590 20.2620 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6940 -0.8500 20.8930 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1510 1.2690 19.2570 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6700 1.2750 17.9800 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4100 -0.0760 18.5860 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9700 -0.1410 19.9070 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7550 -0.3390 21.5490 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3520 -1.1730 22.6970 C 0 0 2 0 0 0 0 0 0 0 0 0
8.7890 -2.5770 22.9000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3880 -1.4920 23.8360 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8180 -0.8370 22.9560 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1590 0.1360 23.8890 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4420 0.6560 23.9280 C 0 0 0 0 0 0 0 0 0 0 0 0
13.4140 0.1840 23.0590 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0820 -0.8270 22.1840 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8050 -1.3430 22.1180 C 0 0 0 0 0 0 0 0 0 0 0 0
2 5 1 0
5 7 2 0
1 8 2 0
7 8 1 0
1 9 1 0
5 10 1 0
6 10 1 0
9 10 2 0
3 11 2 0
6 11 1 0
12 11 1 6
12 13 1 0
12 14 1 0
13 14 1 0
12 15 1 0
15 16 2 0
16 17 1 0
17 18 2 0
4 19 1 0
18 19 1 0
15 20 1 0
19 20 2 0
M END