fragmenstein/demo/mpro_mols/Mpro-x11041.mol
RDKit 3D
19 20 0 0 0 0 0 0 0 0999 V2000
7.2140 -0.4880 20.9820 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2720 1.2860 17.8020 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3900 -0.0510 21.5010 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4480 -1.1050 21.9640 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0340 -0.8520 22.6170 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1940 0.1960 23.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2430 0.8130 23.8000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9040 0.4700 23.6830 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9850 0.0320 18.6440 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3620 0.9590 20.1710 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5100 0.2000 19.9430 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7340 1.4980 19.0540 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8270 1.2260 21.5550 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6420 -1.7580 21.4360 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3810 0.5700 17.5800 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9400 0.9620 21.0830 O 0 0 0 0 0 0 0 0 0 0 0 0
12.7770 -0.7660 22.1030 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4940 -0.4910 22.7670 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9660 -1.6640 21.2090 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3 1 1 0
5 3 1 0
7 6 2 0
8 7 1 0
11 10 2 0
11 9 1 0
11 1 1 0
12 10 1 0
12 2 2 0
13 10 1 0
14 1 1 0
15 2 1 0
15 9 2 0
16 3 2 0
17 6 1 0
17 4 2 0
18 5 1 0
18 8 2 0
18 4 1 0
19 17 1 0
M END