fragmenstein/demo/mpro_mols/Mpro-x10535.mol
RDKit 3D
20 22 0 0 0 0 0 0 0 0999 V2000
6.2550 0.3790 20.0870 C 0 0 2 0 0 0 0 0 0 0 0 0
5.5170 1.2360 17.5970 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8950 -0.6260 22.2810 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5780 0.4240 17.7000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.7720 1.6500 18.6860 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9480 -0.4740 23.4370 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8600 1.4150 21.1910 O 0 0 0 0 0 0 0 0 0 0 0 0
12.5510 -1.2080 22.3350 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2820 0.4320 21.6120 C 0 0 1 0 0 0 0 0 0 0 0 0
11.9820 0.1780 24.1900 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0300 -1.7200 22.4050 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8490 -1.3450 21.8700 N 0 0 0 0 0 0 0 0 0 0 0 0
8.2990 -2.8000 22.9070 O 0 0 0 0 0 0 0 0 0 0 0 0
11.2280 -1.2920 21.9500 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8210 0.0540 21.4630 C 0 0 2 0 0 0 0 0 0 0 0 0
10.2700 -0.6170 22.7040 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9160 0.0050 18.9250 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1510 1.2070 19.9430 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6440 0.1060 23.8330 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7470 -2.0840 21.4220 Cl 0 0 0 0 0 0 0 0 0 0 0 0
4 2 1 0
5 2 1 0
8 6 1 0
9 7 1 6
9 3 1 0
10 6 1 0
11 3 1 0
12 11 1 0
13 11 1 0
14 8 1 0
15 9 1 0
15 1 1 0
15 12 1 6
16 3 1 0
16 14 1 0
17 4 1 0
1 17 1 6
18 5 1 0
18 1 1 0
19 16 1 0
19 10 1 0
20 8 1 0
M END