fragmenstein/demo/mpro_mols/Mpro-x10322.mol
x10322
RDKit 3D
23 25 0 0 0 0 0 0 0 0999 V2000
9.4250 -0.7210 21.9320 N 0 0 0 0 0 0 0 0 0 0 0 0
13.9870 -2.2350 23.0470 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7900 1.1620 20.8230 O 0 0 0 0 0 0 0 0 0 0 0 0
12.9760 -1.1230 22.8900 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8920 1.5030 18.9440 N 0 0 0 0 0 0 0 0 0 0 0 0
12.8950 2.4360 23.3790 O 0 0 0 0 0 0 0 0 0 0 0 0
11.6790 -1.3980 22.4780 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4880 0.6300 17.3940 N 0 0 0 0 0 0 0 0 0 0 0 0
13.8700 6.1430 21.5900 O 0 0 0 0 0 0 0 0 0 0 0 0
10.7340 -0.3850 22.3480 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6550 4.1270 21.6510 N 0 0 0 0 0 0 0 0 0 0 0 0
8.5710 0.0090 21.1820 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2920 -0.7200 20.8150 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5150 -0.1050 19.6730 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4490 0.7480 19.8990 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4430 1.3910 17.7320 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0030 -0.1150 18.3780 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0890 0.9290 22.6300 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3830 1.2030 23.0350 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2330 3.6400 22.9650 C 0 0 2 0 0 0 0 0 0 0 0 0
13.0870 4.7580 23.5830 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3140 5.1940 22.1430 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3230 0.1940 23.1650 C 0 0 0 0 0 0 0 0 0 0 0 0
2 4 1 0
4 7 2 0
1 10 1 0
7 10 1 0
1 12 1 0
3 12 2 0
12 13 1 0
13 14 1 0
5 15 2 0
14 15 1 0
5 16 1 0
8 16 2 0
8 17 1 0
14 17 2 0
10 18 2 0
6 19 1 0
18 19 1 0
20 6 1 1
11 20 1 0
20 21 1 0
9 22 2 0
11 22 1 0
21 22 1 0
4 23 1 0
19 23 2 0
M END