fragmenstein/demo/mpro_mols/Mpro-x3077.mol
x3077
RDKit 3D
19 21 0 0 0 0 0 0 0 0999 V2000
6.8960 -3.6870 21.3850 N 0 0 0 0 0 0 0 0 0 0 0 0
6.6110 -2.9640 19.0500 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0850 -5.1310 19.8920 O 0 0 0 0 0 0 0 0 0 0 0 0
13.6590 -1.5860 21.2210 Cl 0 0 0 0 0 0 0 0 0 0 0 0
6.5210 -4.0210 20.1340 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7200 -2.6170 23.1290 N 0 0 0 0 0 0 0 0 0 0 0 0
7.5580 -4.5530 22.3650 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7130 -3.6150 23.5590 C 0 0 2 0 0 0 0 0 0 0 0 0
6.3870 -2.8520 23.4990 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6510 -2.3990 22.0610 C 0 0 1 0 0 0 0 0 0 0 0 0
7.9810 -1.6810 22.2650 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4280 -1.9610 24.2340 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6110 -1.1490 23.7640 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8810 0.0960 24.3160 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9780 0.8350 23.9010 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8290 0.3340 22.9270 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5570 -0.9050 22.3860 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4610 -1.6470 22.7810 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2760 -3.3350 18.5680 R 0 0 0 0 0 0 0 0 0 0 0 0
1 5 1 0
2 5 1 0
3 5 2 0
1 7 1 0
6 8 1 0
8 7 1 6
8 9 1 0
1 10 1 0
9 10 1 0
6 11 1 0
10 11 1 1
6 12 1 0
12 13 1 0
13 14 2 0
14 15 1 0
15 16 2 0
4 17 1 0
16 17 1 0
13 18 1 0
17 18 2 0
2 19 1 0
M END