fragmenstein/demo/mpro_mols/Mpro-x10022.mol
x10022
RDKit 3D
17 18 0 0 0 0 0 0 0 0999 V2000
9.6650 -0.9610 22.1230 N 0 0 0 0 0 0 0 0 0 0 0 0
6.8360 -0.8690 22.2800 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4980 0.9740 20.9810 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5210 -0.2790 21.3070 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8860 0.4300 17.6710 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9740 -0.0300 21.4480 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0130 -0.8490 22.5160 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4010 0.3140 23.1700 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7470 0.6060 23.3170 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7010 -0.2550 22.8330 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3200 -1.4330 22.2270 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9790 -1.7410 22.0770 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8620 0.2020 20.0640 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6840 0.9340 20.1180 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1200 1.4130 18.9530 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7540 1.1390 17.7580 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4180 -0.0250 18.8080 C 0 0 0 0 0 0 0 0 0 0 0 0
2 4 2 0
1 6 1 0
3 6 2 0
4 6 1 0
1 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 11 1 0
7 12 1 0
11 12 2 0
4 13 1 0
13 14 1 0
14 15 2 0
5 16 2 0
15 16 1 0
5 17 1 0
13 17 2 0
M END