fragmenstein/demo/mpro_mols/Mpro-x2649.mol
x2649
RDKit 3D
19 20 0 0 0 0 0 0 0 0999 V2000
7.1570 -0.6380 20.8630 N 0 0 0 0 0 0 0 0 0 0 0 0
7.8970 -1.1300 23.8540 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9550 0.7230 21.1530 O 0 0 0 0 0 0 0 0 0 0 0 0
13.7470 -1.7950 21.2040 Cl 0 0 0 0 0 0 0 0 0 0 0 0
8.7710 -1.2030 22.5990 C 0 0 1 0 0 0 0 0 0 0 0 0
6.4200 0.7070 17.5250 N 0 0 0 0 0 0 0 0 0 0 0 0
8.3130 -0.2790 21.4660 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5240 0.0940 19.8440 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0110 0.0650 18.5390 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3040 1.3920 17.7990 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7540 1.4880 19.0630 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3730 0.8460 20.1290 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8670 1.0350 21.5360 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2370 -0.8930 22.8740 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6110 0.0270 23.8480 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9320 0.4260 23.9720 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9020 -0.0940 23.1240 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5300 -1.0510 22.2010 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2180 -1.4580 22.0660 C 0 0 0 0 0 0 0 0 0 0 0 0
5 2 1 1
1 7 1 0
3 7 2 0
5 7 1 0
1 8 1 0
6 9 2 0
8 9 1 0
6 10 1 0
10 11 2 0
8 12 2 0
11 12 1 0
12 13 1 0
5 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
4 18 1 0
17 18 1 0
14 19 1 0
18 19 2 0
M END