fragmenstein/demo/mpro_mols/Mpro-x0946.mol
x0946
RDKit 3D
11 11 0 0 0 0 0 0 0 0999 V2000
9.3610 5.1420 22.9680 N 0 0 0 0 0 0 0 0 0 0 0 0
12.4570 1.0970 23.1370 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1970 5.2090 25.2750 O 0 0 0 0 0 0 0 0 0 0 0 0
11.2150 1.1640 23.7750 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5640 6.1580 23.4790 O 0 0 0 0 0 0 0 0 0 0 0 0
10.6700 2.4360 24.0330 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3410 3.6240 23.6650 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5890 3.4930 23.0370 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1530 2.2460 22.7740 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2620 -0.6540 22.6860 Br 0 0 0 0 0 0 0 0 0 0 0 0
10.6760 5.1470 23.9490 S 0 0 2 0 0 0 0 0 0 0 0 0
2 4 2 0
4 6 1 0
6 7 2 0
7 8 1 0
2 9 1 0
8 9 2 0
2 10 1 0
11 1 1 6
3 11 2 0
5 11 2 0
7 11 1 0
M END