fragmenstein/demo/mpro_mols/Mpro-x1382.mol
x1382
RDKit 3D
14 14 0 0 0 0 0 0 0 0999 V2000
13.8370 -1.8970 21.3180 Cl 0 0 0 0 0 0 0 0 0 0 0 0
7.7570 -1.2780 23.5410 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9230 -2.0530 22.9330 C 0 0 1 0 0 0 0 0 0 0 0 0
8.5700 -2.5200 21.5790 N 0 0 0 0 0 0 0 0 0 0 0 0
8.2180 -1.7390 20.5480 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1500 -0.5060 20.6150 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8790 -2.4090 19.2150 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2530 -1.3160 22.9540 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4710 -0.1710 23.7110 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7100 0.4450 23.7130 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7570 -0.0750 22.9870 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5410 -1.2140 22.2540 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3140 -1.8320 22.2350 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2490 -4.1200 19.3920 R 0 0 0 0 0 0 0 0 0 0 0 0
3 2 1 6
3 4 1 0
4 5 1 0
5 6 2 0
5 7 1 0
3 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
1 12 1 0
11 12 1 0
8 13 1 0
12 13 2 0
7 14 1 0
M END