fragmenstein/demo/mpro_mols/Mpro-x10172.mol
x10172
RDKit 3D
15 15 0 0 0 0 0 0 0 0999 V2000
8.9840 -2.6010 21.3270 N 0 0 0 0 0 0 0 0 0 0 0 0
8.7820 -2.7400 23.7500 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1580 -0.8380 20.2060 O 0 0 0 0 0 0 0 0 0 0 0 0
14.1130 -1.9280 20.9160 Cl 0 0 0 0 0 0 0 0 0 0 0 0
9.1750 -1.8540 22.5740 C 0 0 1 0 0 0 0 0 0 0 0 0
10.5970 -1.3400 22.7150 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6130 -1.8630 21.9210 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8760 -1.3080 21.9720 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1770 -0.2630 22.8200 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1670 0.1980 23.6240 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8900 -0.2990 23.5910 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4510 -2.0280 20.2370 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2380 -2.9310 19.0490 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4590 1.1590 24.5390 F 0 0 0 0 0 0 0 0 0 0 0 0
7.3850 -4.4170 19.5000 R 0 0 0 0 0 0 0 0 0 0 0 0
1 5 1 0
5 2 1 1
5 6 1 0
6 7 2 0
4 8 1 0
7 8 1 0
8 9 2 0
9 10 1 0
6 11 1 0
10 11 2 0
1 12 1 0
3 12 2 0
12 13 1 0
10 14 1 0
13 15 1 0
M END