fragmenstein/demo/mpro_mols/Mpro-x10700.mol
RDKit 3D
21 22 0 0 0 0 0 0 0 0999 V2000
7.0480 -1.4110 21.5390 N 0 0 0 0 0 0 0 0 0 0 0 0
11.1060 0.4070 23.0960 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5720 0.6130 20.4000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3530 -1.1160 22.7480 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3650 -2.3800 22.5800 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4700 1.2430 16.8700 O 0 0 0 0 0 0 0 0 0 0 0 0
12.4530 0.7460 23.0660 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7090 -0.9160 22.8150 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6640 -1.8810 22.5390 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0040 -1.5250 22.5060 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5830 -0.3110 19.9730 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8990 0.9670 17.9330 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9370 -1.5000 20.8080 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2730 1.6410 19.5810 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2160 -0.1300 18.7720 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4090 2.6500 23.5740 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9150 1.8080 18.3960 N 0 0 0 0 0 0 0 0 0 0 0 0
10.0820 1.2750 23.3660 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2010 -2.4840 20.8470 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8400 -2.4540 22.8390 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3930 -0.2240 22.7610 C 0 0 0 0 0 0 0 0 0 0 0 0
5 1 1 0
7 2 2 0
8 4 1 0
8 2 1 0
9 8 2 0
10 9 1 0
11 3 1 0
12 6 2 0
13 11 1 0
13 1 1 0
14 3 2 0
15 12 1 0
15 11 2 0
17 14 1 0
17 12 1 0
18 16 1 0
18 2 1 0
19 13 2 0
20 5 1 0
20 4 1 0
21 10 2 0
21 7 1 0
M END