fragmenstein/demo/mpro_mols/Mpro-x1237.mol
x1237
RDKit 3D
14 15 0 0 0 0 0 0 0 0999 V2000
14.4620 -25.9430 4.3790 N 0 0 0 0 0 0 0 0 0 0 0 0
15.8800 -25.6060 7.1080 C 0 0 0 0 0 0 0 0 0 0 0 0
15.0820 -27.8860 7.8940 O 0 0 0 0 0 0 0 0 0 0 0 0
16.0290 -27.5880 5.5170 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7180 -28.1150 4.5620 N 0 0 0 0 0 0 0 0 0 0 0 0
17.4800 -27.4680 7.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
14.7550 -27.1980 4.8230 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1720 -26.0440 3.8220 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3420 -25.0410 3.2730 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0790 -25.4140 2.8680 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6240 -26.7540 2.9790 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4160 -27.7480 3.5030 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7030 -27.3820 3.9310 C 0 0 0 0 0 0 0 0 0 0 0 0
16.1320 -27.2430 7.2000 S 0 0 1 0 0 0 0 0 0 0 0 0
1 7 2 0
4 7 1 0
5 7 1 0
1 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
11 12 1 0
5 13 1 0
8 13 1 0
12 13 2 0
14 2 1 6
3 14 2 0
4 14 1 0
6 14 2 0
M END