fragmenstein/demo/mpro_mols/Mpro-x0434.mol
x0434
RDKit 3D
16 17 0 0 0 0 0 0 0 0999 V2000
9.1540 0.6740 20.8440 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6000 -0.2440 21.3530 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2390 -0.9740 22.4210 N 0 0 0 0 0 0 0 0 0 0 0 0
10.5250 -0.4980 22.8250 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5630 0.3330 23.9260 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7690 0.8430 24.3410 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9280 0.5280 23.6450 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8820 -0.3030 22.5390 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6690 -0.8130 22.1180 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2910 -0.6660 20.9230 N 0 0 0 0 0 0 0 0 0 0 0 0
6.6110 0.0230 19.8590 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4070 0.6480 20.1420 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7780 1.3080 19.0980 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3710 1.2760 17.8410 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5200 0.6800 17.6310 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1530 0.0510 18.5860 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 1 0
4 5 2 0
5 6 1 0
6 7 2 0
7 8 1 0
4 9 1 0
8 9 2 0
2 10 1 0
10 11 1 0
11 12 2 0
12 13 1 0
13 14 2 0
14 15 1 0
11 16 1 0
15 16 2 0
M END