fragmenstein/demo/mpro_mols/Mpro-x10906.mol
RDKit 3D
22 25 0 0 0 0 0 0 0 0999 V2000
8.4550 0.9300 21.0760 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1270 -0.2550 21.1120 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6500 -1.2150 22.1800 C 0 0 1 0 0 0 0 0 0 0 0 0
10.1360 -1.5560 21.9360 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0310 -0.7380 22.8330 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6550 -0.8790 24.2130 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3470 -0.5950 23.5290 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3660 -0.4880 24.4760 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1400 0.0800 25.7190 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8910 0.5920 26.0200 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0890 -0.0780 23.8500 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8880 0.5190 25.0790 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3330 1.2260 25.4370 Cl 0 0 0 0 0 0 0 0 0 0 0 0
7.4510 -0.8480 20.0980 N 0 0 0 0 0 0 0 0 0 0 0 0
6.6890 -0.3900 19.0750 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7370 0.5940 19.2350 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4560 1.0160 17.9670 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1430 0.3500 17.0890 N 0 0 0 0 0 0 0 0 0 0 0 0
6.9220 -0.5640 17.7860 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0750 1.0040 20.4950 C 0 0 2 0 0 0 0 0 0 0 0 0
3.8370 1.8270 20.4080 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1150 2.4390 20.8880 C 0 0 0 0 0 0 0 0 0 0 0 0
2 1 2 0
3 2 1 6
4 3 1 0
5 4 1 0
6 5 1 0
7 3 1 0
8 7 2 0
8 6 1 0
9 8 1 0
10 9 2 0
11 7 1 0
12 11 2 0
12 10 1 0
13 12 1 0
14 2 1 0
15 14 1 0
16 15 1 0
17 16 1 0
18 17 2 0
19 18 1 0
19 15 2 0
20 16 1 6
21 20 1 0
22 21 1 0
22 20 1 0
M END