fragmenstein/demo/mpro_mols/Mpro-x10236.mol
x10236
RDKit 3D
25 27 0 0 0 0 0 0 0 0999 V2000
9.4070 -0.8010 22.4200 N 0 0 0 0 0 0 0 0 0 0 0 0
13.0740 -0.8820 22.0760 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3740 0.7990 20.7850 O 0 0 0 0 0 0 0 0 0 0 0 0
14.2740 -1.5970 21.0330 Cl 0 0 0 0 0 0 0 0 0 0 0 0
13.4680 0.0430 23.0180 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5540 -0.5510 20.9830 N 0 0 0 0 0 0 0 0 0 0 0 0
12.5090 0.6000 23.8490 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7000 0.6260 17.6070 N 0 0 0 0 0 0 0 0 0 0 0 0
11.1720 0.2580 23.7130 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7890 -0.6400 22.7240 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7510 -1.2460 21.9180 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5890 -1.5720 23.3730 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0380 -3.0200 23.5030 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9020 -3.5760 24.9320 C 0 0 2 0 0 0 0 0 0 0 0 0
9.3750 -5.0300 25.0150 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2290 -5.6190 26.4210 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7960 -5.5010 26.9310 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3140 -4.0560 26.8650 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4630 -3.4770 25.4570 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7940 -0.1270 21.3360 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8010 0.0290 19.9370 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6350 0.7440 20.1780 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0150 1.4020 19.1320 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5830 1.3200 17.8700 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2830 -0.0110 18.6270 C 0 0 0 0 0 0 0 0 0 0 0 0
2 4 1 0
2 5 2 0
5 7 1 0
7 9 2 0
1 10 1 0
9 10 1 0
2 11 1 0
10 11 2 0
1 12 1 0
12 13 1 0
14 13 1 6
14 15 1 0
15 16 1 0
16 17 1 0
17 18 1 0
14 19 1 0
18 19 1 0
1 20 1 0
3 20 2 0
6 20 1 0
6 21 1 0
21 22 1 0
22 23 2 0
8 24 2 0
23 24 1 0
8 25 1 0
21 25 2 0
M END