fragmenstein/demo/mpro_mols/Mpro-x0390.mol
x0390
RDKit 3D
18 20 0 0 0 0 0 0 0 0999 V2000
22.6610 17.7990 2.8820 O 0 0 0 0 0 0 0 0 0 0 0 0
21.9710 18.3010 3.9900 C 0 0 0 0 0 0 0 0 0 0 0 0
21.1020 19.3760 3.8540 C 0 0 0 0 0 0 0 0 0 0 0 0
20.4340 19.8580 4.9690 C 0 0 0 0 0 0 0 0 0 0 0 0
20.6130 19.2660 6.2140 C 0 0 0 0 0 0 0 0 0 0 0 0
21.4780 18.1860 6.3500 C 0 0 0 0 0 0 0 0 0 0 0 0
22.1510 17.7070 5.2310 C 0 0 0 0 0 0 0 0 0 0 0 0
23.1130 16.5350 5.3340 C 0 0 0 0 0 0 0 0 0 0 0 0
22.6910 15.4450 4.4740 N 0 0 0 0 0 0 0 0 0 0 0 0
23.5980 14.3300 4.2680 C 0 0 0 0 0 0 0 0 0 0 0 0
24.7370 14.1530 4.9360 N 0 0 0 0 0 0 0 0 0 0 0 0
25.3350 13.0130 4.4900 C 0 0 0 0 0 0 0 0 0 0 0 0
26.5520 12.3520 4.8450 C 0 0 0 0 0 0 0 0 0 0 0 0
26.9100 11.1690 4.2020 C 0 0 0 0 0 0 0 0 0 0 0 0
26.0860 10.6330 3.2080 C 0 0 0 0 0 0 0 0 0 0 0 0
24.9040 11.2800 2.8620 C 0 0 0 0 0 0 0 0 0 0 0 0
24.5300 12.4870 3.5240 C 0 0 0 0 0 0 0 0 0 0 0 0
23.4640 13.3200 3.4080 N 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 2 0
5 6 1 0
2 7 1 0
6 7 2 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
13 14 1 0
14 15 2 0
15 16 1 0
12 17 1 0
16 17 2 0
10 18 1 0
17 18 1 0
M END