fragmenstein/demo/mpro_mols/Mpro-x11339.mol
RDKit 3D
15 16 0 0 0 0 0 0 0 0999 V2000
13.5090 -0.5230 21.3410 F 0 0 0 0 0 0 0 0 0 0 0 0
12.6350 -1.3060 22.1030 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4360 -0.4690 22.4630 C 0 0 2 0 0 0 0 0 0 0 0 0
10.5010 -0.8360 23.5670 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0870 -1.0740 22.1350 C 0 0 1 0 0 0 0 0 0 0 0 0
9.1570 -0.0920 21.4490 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5160 1.0500 21.1810 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9550 -0.6070 21.1050 N 0 0 0 0 0 0 0 0 0 0 0 0
7.0470 -0.0450 20.1770 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8990 0.6270 20.6340 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5860 0.7660 22.1020 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2660 -0.1310 18.8000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4420 0.3940 17.8880 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3560 1.0310 18.3370 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0510 1.1690 19.6760 C 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0
3 2 1 1
4 3 1 0
5 4 1 0
5 3 1 0
5 6 1 6
7 6 2 0
8 6 1 0
9 8 1 0
10 9 2 0
11 10 1 0
12 9 1 0
13 12 2 0
14 13 1 0
15 14 2 0
15 10 1 0
M END