fragmenstein/demo/mpro_mols/Mpro-x0350.mol
x0350
RDKit 3D
15 16 0 0 0 0 0 0 0 0999 V2000
10.9910 -25.8110 3.4460 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1210 -25.0180 3.5290 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4080 -24.1010 2.5220 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5590 -23.9740 1.4450 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4170 -24.7720 1.3690 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4460 -24.6650 0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9680 -23.2870 -0.0830 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0470 -23.2980 -1.1540 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2250 -22.0030 -1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5730 -20.8120 -1.8310 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5390 -19.9110 -1.6170 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5520 -20.5860 -0.8430 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9900 -21.8200 -0.6220 O 0 0 0 0 0 0 0 0 0 0 0 0
10.1360 -25.6900 2.3670 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6960 -26.7050 4.4120 F 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
9 13 1 0
12 13 1 0
1 14 1 0
5 14 2 0
1 15 1 0
M END