fragmenstein/demo/mpro_mols/Mpro-x2659.mol
x2659
RDKit 3D
19 21 0 0 0 0 0 0 0 0999 V2000
22.7610 -25.1060 15.2060 N 0 0 0 0 0 0 0 0 0 0 0 0
19.6670 -19.8880 16.5370 C 0 0 0 0 0 0 0 0 0 0 0 0
21.5360 -19.9620 13.5580 O 0 0 0 0 0 0 0 0 0 0 0 0
25.2850 -27.8040 19.7240 Cl 0 0 0 0 0 0 0 0 0 0 0 0
20.4140 -20.7080 15.5030 C 0 0 1 0 0 0 0 0 0 0 0 0
22.3850 -19.3380 15.5180 O 0 0 0 0 0 0 0 0 0 0 0 0
21.4970 -19.9480 14.7650 C 0 0 0 0 0 0 0 0 0 0 0 0
21.0490 -21.9460 16.1150 C 0 0 0 0 0 0 0 0 0 0 0 0
21.2060 -22.0710 17.4960 C 0 0 0 0 0 0 0 0 0 0 0 0
21.8670 -23.1490 18.0570 C 0 0 0 0 0 0 0 0 0 0 0 0
22.3750 -24.1400 17.2240 C 0 0 0 0 0 0 0 0 0 0 0 0
22.1730 -24.0290 15.8340 C 0 0 0 0 0 0 0 0 0 0 0 0
21.5210 -22.9460 15.2690 C 0 0 0 0 0 0 0 0 0 0 0 0
23.3660 -25.9000 16.1570 C 0 0 0 0 0 0 0 0 0 0 0 0
24.1310 -27.0430 15.9880 C 0 0 0 0 0 0 0 0 0 0 0 0
24.7130 -27.6290 17.0980 C 0 0 0 0 0 0 0 0 0 0 0 0
24.5150 -27.0730 18.3480 C 0 0 0 0 0 0 0 0 0 0 0 0
23.7400 -25.9440 18.5380 C 0 0 0 0 0 0 0 0 0 0 0 0
23.1550 -25.3370 17.4300 C 0 0 0 0 0 0 0 0 0 0 0 0
5 2 1 1
3 7 2 0
5 7 1 0
6 7 1 0
5 8 1 0
8 9 1 0
9 10 2 0
10 11 1 0
1 12 1 0
11 12 2 0
8 13 2 0
12 13 1 0
1 14 1 0
14 15 2 0
15 16 1 0
4 17 1 0
16 17 2 0
17 18 1 0
11 19 1 0
14 19 1 0
18 19 2 0
M END