fragmenstein/demo/mpro_mols/Mpro-x11426.mol
RDKit 3D
16 17 0 0 0 0 0 0 0 0999 V2000
13.7660 -1.8420 21.3540 Cl 0 0 0 0 0 0 0 0 0 0 0 0
12.5750 -0.9540 22.2700 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9780 0.1040 23.0570 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0200 0.7940 23.7840 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6820 0.4400 23.6900 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2490 -1.3270 22.1800 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2800 -0.6000 22.8640 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8200 -0.8270 22.5530 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4270 -0.3190 21.1600 C 0 0 2 0 0 0 0 0 0 0 0 0
8.7990 1.0620 21.0360 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9300 -0.4970 20.9320 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5050 -0.0130 19.6210 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4530 0.8350 19.5050 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4280 1.0630 18.2110 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3800 0.4310 17.4930 N 0 0 0 0 0 0 0 0 0 0 0 0
7.0260 -0.2400 18.4200 C 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0
3 2 2 0
4 3 1 0
5 4 2 0
6 2 1 0
7 5 1 0
7 6 2 0
8 7 1 0
9 8 1 0
9 10 1 1
11 9 1 0
12 11 1 0
13 12 1 0
14 13 2 0
15 14 1 0
16 15 2 0
16 12 1 0
M END