fragmenstein/demo/mpro_mols/Mpro-x10610.mol
RDKit 3D
17 18 0 0 0 0 0 0 0 0999 V2000
11.7180 0.8950 23.7460 N 0 0 0 0 0 0 0 0 0 0 0 0
10.9050 0.1980 23.3650 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8310 -0.6380 22.8010 C 0 0 1 0 0 0 0 0 0 0 0 0
10.4530 -1.9590 22.3330 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4220 -2.7940 23.4860 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1600 -2.5470 24.1080 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8750 -1.0650 23.9470 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2200 0.1830 21.6490 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9400 0.9230 21.0040 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8870 0.1960 21.5380 N 0 0 0 0 0 0 0 0 0 0 0 0
7.0980 0.3560 20.3740 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7420 0.6710 20.5240 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1280 0.9080 21.8800 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5970 0.1680 19.0790 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8690 0.3420 17.9710 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5940 0.7080 18.1300 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9960 0.8680 19.3650 C 0 0 0 0 0 0 0 0 0 0 0 0
2 1 3 0
3 2 1 1
4 3 1 0
5 4 1 0
6 5 1 0
7 6 1 0
7 3 1 0
8 3 1 0
9 8 2 0
10 8 1 0
11 10 1 0
12 11 2 0
13 12 1 0
14 11 1 0
15 14 2 0
16 15 1 0
17 16 2 0
17 12 1 0
M END