fragmenstein/demo/mpro_mols/Mpro-x10396.mol
RDKit 3D
20 21 0 0 0 0 0 0 0 0999 V2000
8.7020 -2.2040 22.4690 F 0 0 0 0 0 0 0 0 0 0 0 0
10.8170 0.2440 23.9290 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3980 0.6180 17.5410 N 0 0 0 0 0 0 0 0 0 0 0 0
12.6730 -0.9820 22.3200 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4260 0.8570 20.1630 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1050 -0.0670 23.2600 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9160 1.0410 21.5700 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3920 -0.6500 22.9540 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8040 1.4980 19.0960 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4080 -0.0750 21.4830 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2710 -0.5450 20.9300 N 0 0 0 0 0 0 0 0 0 0 0 0
9.0120 0.9180 21.1050 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5580 0.0770 19.8780 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9250 -0.8810 22.6970 C 0 0 1 0 0 0 0 0 0 0 0 0
6.9960 -0.0120 18.5580 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1640 0.5350 24.0810 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3380 -1.2880 22.1620 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3160 1.3540 17.8230 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1690 -0.5630 23.7860 F 0 0 0 0 0 0 0 0 0 0 0 0
13.8430 -1.7900 21.3170 Cl 0 0 0 0 0 0 0 0 0 0 0 0
6 4 1 0
7 5 1 0
8 2 2 0
9 5 1 0
11 10 1 0
12 10 2 0
13 5 2 0
13 11 1 0
14 10 1 0
14 8 1 0
14 1 1 6
15 13 1 0
15 3 2 0
16 2 1 0
16 6 2 0
17 8 1 0
17 4 2 0
18 9 2 0
18 3 1 0
19 14 1 0
20 4 1 0
M END