fragmenstein/demo/mpro_mols/Mpro-x10996.mol
RDKit 3D
17 18 0 0 0 0 0 0 0 0999 V2000
5.3010 1.3240 17.9310 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0550 -1.0240 22.3790 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3840 0.6060 17.6000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.9240 0.0460 23.4780 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4230 -1.3250 22.1740 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6910 -0.8630 22.4660 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7790 1.3680 19.2090 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8550 0.4630 24.2580 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3250 -0.7180 20.9060 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5510 -0.0910 19.8980 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0640 0.7570 20.9540 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5220 -0.2560 21.3810 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4110 0.6430 20.2070 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3490 -0.8420 22.9140 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9850 -0.0870 18.5730 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5710 0.0150 23.9870 C 0 0 0 0 0 0 0 0 0 0 0 0
14.0330 -1.4590 21.5350 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3 1 2 0
6 5 1 0
6 4 2 0
7 1 1 0
8 4 1 0
10 9 1 0
12 11 2 0
12 9 1 0
12 2 1 0
13 7 2 0
13 10 1 0
14 2 1 0
14 5 2 0
15 10 2 0
15 3 1 0
16 14 1 0
16 8 2 0
17 6 1 0
M END