fragmenstein/demo/mpro_mols/Mpro-x2569.mol
x2569
RDKit 3D
18 19 0 0 0 0 0 0 0 0999 V2000
12.2060 0.5260 24.1320 N 0 0 0 0 0 0 0 0 0 0 0 0
8.4050 0.1530 21.5620 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1660 0.9050 20.9540 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8630 -0.6250 22.7800 C 0 0 0 0 0 0 0 0 0 0 0 0
14.2520 -1.9300 20.5260 N 0 0 0 0 0 0 0 0 0 0 0 0
10.3560 -0.4720 22.9480 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1000 0.0070 21.2570 N 0 0 0 0 0 0 0 0 0 0 0 0
10.8920 0.3070 23.9610 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6460 0.6430 17.6440 N 0 0 0 0 0 0 0 0 0 0 0 0
13.0420 -0.0510 23.2610 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6110 -0.8540 22.2040 C 0 0 0 0 0 0 0 0 0 0 0 0
13.5400 -1.4500 21.2780 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2440 -1.0650 22.0570 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4770 0.2150 20.0080 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2160 0.7950 20.0260 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6960 1.3260 18.8600 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4410 1.2230 17.6990 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1480 0.1580 18.7850 C 0 0 0 0 0 0 0 0 0 0 0 0
2 3 2 0
2 4 1 0
4 6 1 0
2 7 1 0
1 8 2 0
6 8 1 0
1 10 1 0
10 11 2 0
5 12 3 0
11 12 1 0
6 13 2 0
11 13 1 0
7 14 1 0
14 15 1 0
15 16 2 0
9 17 2 0
16 17 1 0
9 18 1 0
14 18 2 0
M END