fragmenstein/demo/mpro_mols/Mpro-7cx9.mol
RDKit 3D
12 13 0 0 0 0 0 0 0 0999 V2000
9.4050 -4.1880 20.5110 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3260 -3.8850 20.9670 O 0 0 0 0 0 0 0 0 0 0 0 0
10.6340 -3.6650 21.0800 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8610 -3.9340 20.5110 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0140 -3.3880 21.0630 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9560 -2.5720 22.1720 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6840 -2.3180 22.7150 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5320 -2.8650 22.1640 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4240 -2.4740 22.8480 N 0 0 0 0 0 0 0 0 0 0 0 0
9.9130 -1.6660 23.8690 N 0 0 0 0 0 0 0 0 0 0 0 0
11.2210 -1.6030 23.7480 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3560 -0.4530 25.1830 I 0 0 0 0 0 0 0 0 0 0 0 0
2 1 2 0
3 1 1 0
4 3 2 0
5 4 1 0
6 5 2 0
7 6 1 0
8 3 1 0
8 7 2 0
9 8 1 0
10 9 1 0
11 10 2 0
11 7 1 0
12 11 1 0
M END