fragmenstein/demo/mpro_mols/Mpro-x10329.mol
RDKit 3D
20 21 0 0 0 0 0 0 0 0999 V2000
13.8460 -1.6370 21.2240 Cl 0 0 0 0 0 0 0 0 0 0 0 0
12.7220 -0.7620 22.2210 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2000 0.1570 23.1290 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3040 0.7600 23.9980 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9520 0.4670 23.9210 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3770 -1.0540 22.1220 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4710 -0.4160 22.9620 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9810 -0.5770 22.7200 C 0 0 2 0 0 0 0 0 0 0 0 0
8.5430 -2.0490 22.6960 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6120 -2.7020 24.0590 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6050 0.2120 21.4610 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0890 1.3130 21.2200 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7280 -0.3930 20.6270 N 0 0 0 0 0 0 0 0 0 0 0 0
6.6410 0.0040 19.8260 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6260 0.8690 20.2900 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2750 0.9850 21.7510 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8760 1.5410 19.3290 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0830 1.3950 18.0140 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0590 0.5480 17.5740 N 0 0 0 0 0 0 0 0 0 0 0 0
6.7760 -0.1260 18.4470 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 6 2 0
7 5 1 0
8 7 1 0
8 9 1 6
10 9 1 0
11 8 1 0
12 11 2 0
13 11 1 0
14 13 1 0
15 14 2 0
16 15 1 0
17 15 1 0
18 17 2 0
19 18 1 0
20 19 2 0
20 14 1 0
M END