fragmenstein/demo/mpro_mols/Mpro-x10178.mol
RDKit 3D
18 19 0 0 0 0 0 0 0 0999 V2000
14.4760 -2.0930 20.5250 N 0 0 0 0 0 0 0 0 0 0 0 0
13.7510 -1.5330 21.2040 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7940 -0.8500 22.0330 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1710 0.1690 22.9060 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2980 0.8690 23.6400 N 0 0 0 0 0 0 0 0 0 0 0 0
10.9940 0.5780 23.4970 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4400 -1.1460 21.9140 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5120 -0.4040 22.6260 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1560 -0.6130 22.2970 N 0 0 0 0 0 0 0 0 0 0 0 0
8.4480 0.0500 21.3640 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8500 1.0680 20.8080 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1010 -0.5620 21.0360 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4490 0.1220 19.8570 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9220 -0.0680 18.5690 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3980 0.5160 17.4850 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3510 1.3320 17.6690 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8040 1.5920 18.9120 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3630 0.9720 20.0140 C 0 0 0 0 0 0 0 0 0 0 0 0
2 1 3 0
3 2 1 0
4 3 2 0
5 4 1 0
6 5 2 0
7 3 1 0
8 7 2 0
8 6 1 0
9 8 1 0
10 9 1 0
11 10 2 0
12 10 1 0
13 12 1 0
14 13 2 0
15 14 1 0
16 15 2 0
17 16 1 0
18 17 2 0
18 13 1 0
M END