fragmenstein/demo/mpro_mols/Mpro-x10387.mol
x10387
RDKit 3D
23 25 0 0 0 0 0 0 0 0999 V2000
9.5930 -0.5990 21.7730 N 0 0 0 0 0 0 0 0 0 0 0 0
13.1890 -0.9490 22.3390 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7610 1.3360 20.8960 O 0 0 0 0 0 0 0 0 0 0 0 0
11.8930 -1.2630 22.0080 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4580 0.7410 17.4210 N 0 0 0 0 0 0 0 0 0 0 0 0
13.0800 2.5150 23.2660 O 0 0 0 0 0 0 0 0 0 0 0 0
10.9330 -0.2600 22.0930 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8820 1.5480 19.0290 N 0 0 0 0 0 0 0 0 0 0 0 0
13.5400 6.5030 21.8810 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6460 0.1410 21.1500 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5770 4.3590 21.7670 N 0 0 0 0 0 0 0 0 0 0 0 0
7.3910 -0.6370 20.7950 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5630 -0.0340 19.6840 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0190 -0.0060 18.3770 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4070 1.4730 17.8050 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4810 0.7880 19.9550 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2990 1.0230 22.5000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6220 1.2860 22.8300 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2750 3.6880 23.0300 C 0 0 2 0 0 0 0 0 0 0 0 0
12.9540 4.8620 23.7460 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1090 5.4490 22.3500 C 0 0 0 0 0 0 0 0 0 0 0 0
13.5920 0.2970 22.7550 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1190 -1.9360 22.2760 F 0 0 0 0 0 0 0 0 0 0 0 0
2 4 2 0
1 7 1 0
4 7 1 0
1 10 1 0
3 10 2 0
10 12 1 0
12 13 1 0
5 14 2 0
13 14 1 0
5 15 1 0
8 15 2 0
8 16 1 0
13 16 2 0
7 17 2 0
6 18 1 0
17 18 1 0
19 6 1 6
11 19 1 0
19 20 1 0
9 21 2 0
11 21 1 0
20 21 1 0
2 22 1 0
18 22 2 0
2 23 1 0
M END