fragmenstein/demo/mpro_mols/Mpro-x0305.mol
x0305
RDKit 3D
11 11 0 0 0 0 0 0 0 0999 V2000
8.3830 -0.0160 27.4180 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9410 -0.5650 26.1240 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0760 0.2400 25.7110 N 0 0 0 0 0 0 0 0 0 0 0 0
10.9040 -0.2020 24.6160 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5520 -1.3350 23.8940 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3420 -1.7500 22.8400 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4720 -1.0160 22.5320 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3670 -1.4560 21.3810 C 0 0 0 0 0 0 0 0 0 0 0 0
14.0490 -1.7600 20.5260 N 0 0 0 0 0 0 0 0 0 0 0 0
12.7670 0.1100 23.2980 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9850 0.4890 24.3080 N 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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
8 9 3 0
7 10 1 0
4 11 1 0
10 11 2 0
M END