fragmenstein/demo/mpro_mols/Mpro-x2562.mol
x2562
RDKit 3D
22 24 0 0 0 0 0 0 0 0999 V2000
4.7450 1.4590 19.1650 N 0 0 0 0 0 0 0 0 0 0 0 0
8.5640 0.1960 21.0720 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5130 1.4190 20.9740 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3460 -0.6740 20.8370 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2450 0.6430 17.4970 N 0 0 0 0 0 0 0 0 0 0 0 0
12.3470 2.9760 23.5020 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4340 -0.1390 19.7580 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6830 -0.4910 21.3870 N 0 0 0 0 0 0 0 0 0 0 0 0
13.7060 7.0040 22.5090 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3710 0.6940 20.0660 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5830 4.9720 22.1490 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2190 1.3820 17.9210 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8370 -0.1060 18.4330 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8690 -0.0150 21.9930 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9080 -0.9230 22.1650 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0980 -0.5090 22.7430 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2530 0.7970 23.1790 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2040 1.6900 23.0300 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2650 3.7720 22.7090 C 0 0 1 0 0 0 0 0 0 0 0 0
14.0020 4.7440 23.6430 C 0 0 0 0 0 0 0 0 0 0 0 0
13.4480 5.8250 22.7280 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0140 1.2990 22.4330 C 0 0 0 0 0 0 0 0 0 0 0 0
2 3 2 0
2 4 1 0
4 7 1 0
2 8 1 0
1 10 2 0
7 10 1 0
1 12 1 0
5 12 2 0
5 13 1 0
7 13 2 0
8 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
6 18 1 0
17 18 1 0
19 6 1 1
11 19 1 0
19 20 1 0
9 21 2 0
11 21 1 0
20 21 1 0
14 22 1 0
18 22 2 0
M END