fragmenstein/demo/mpro_mols/Mpro-x1163.mol
x1163
RDKit 3D
15 16 0 0 0 0 0 0 0 0999 V2000
21.7580 21.3950 4.6300 O 0 0 0 0 0 0 0 0 0 0 0 0
21.8760 20.2070 3.9640 C 0 0 0 0 0 0 0 0 0 0 0 0
20.6570 19.3590 4.2110 C 0 0 1 0 0 0 0 0 0 0 0 0
21.0650 17.8660 4.1980 C 0 0 0 0 0 0 0 0 0 0 0 0
21.4090 17.3270 5.4820 N 0 0 0 0 0 0 0 0 0 0 0 0
22.2800 16.3730 5.4540 C 0 0 0 0 0 0 0 0 0 0 0 0
21.7860 15.1330 6.1920 C 0 0 0 0 0 0 0 0 0 0 0 0
22.4070 13.9340 5.9030 C 0 0 0 0 0 0 0 0 0 0 0 0
22.0100 12.7740 6.5330 C 0 0 0 0 0 0 0 0 0 0 0 0
20.9920 12.7990 7.4660 C 0 0 0 0 0 0 0 0 0 0 0 0
20.3780 13.9780 7.7650 C 0 0 0 0 0 0 0 0 0 0 0 0
20.7740 15.1520 7.1240 C 0 0 0 0 0 0 0 0 0 0 0 0
21.6380 18.2680 6.4960 C 0 0 0 0 0 0 0 0 0 0 0 0
20.4760 19.2700 6.6260 C 0 0 0 0 0 0 0 0 0 0 0 0
19.9970 19.7860 5.3900 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
3 2 1 1
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 11 1 0
7 12 1 0
11 12 2 0
5 13 1 0
13 14 1 0
3 15 1 0
14 15 1 0
M END