fragmenstein/demo/mpro_mols/Mpro-x2912.mol
x2912
RDKit 3D
20 21 0 0 0 0 0 0 0 0999 V2000
7.1690 -0.5440 21.0630 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0140 -0.8000 24.0550 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9990 0.7800 21.1590 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8350 -1.0070 22.7760 C 0 0 1 0 0 0 0 0 0 0 0 0
6.4210 0.5060 17.6310 N 0 0 0 0 0 0 0 0 0 0 0 0
8.3500 -0.1680 21.5890 C 0 0 0 0 0 0 0 0 0 0 0 0
14.2270 -1.8610 20.4140 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5510 0.1270 19.9930 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0400 -0.0100 18.6950 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2860 1.1850 17.8460 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7530 1.4060 19.1000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3920 0.8860 20.2160 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8820 1.1850 21.6030 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3160 -0.6860 22.9520 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7600 0.1960 23.9340 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1090 0.4970 24.0590 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0270 -0.0520 23.1780 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5950 -0.9360 22.1910 C 0 0 0 0 0 0 0 0 0 0 0 0
13.5220 -1.4430 21.2120 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2450 -1.2650 22.0950 C 0 0 0 0 0 0 0 0 0 0 0 0
4 2 1 1
1 6 1 0
3 6 2 0
4 6 1 0
1 8 1 0
5 9 2 0
8 9 1 0
5 10 1 0
10 11 2 0
8 12 2 0
11 12 1 0
12 13 1 0
4 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
7 19 3 0
18 19 1 0
14 20 1 0
18 20 2 0
M END