fragmenstein/demo/mpro_mols/Mpro-x0376.mol
x0376
RDKit 3D
18 20 0 0 0 0 0 0 0 0999 V2000
0.2650 29.6520 -9.3580 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8980 29.8130 -9.1660 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3540 30.9450 -8.3670 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.7810 31.1030 -8.1430 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3580 32.3770 -8.7590 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4850 33.6150 -8.5430 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2150 33.5980 -9.3950 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0120 33.0570 -8.6710 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3140 31.8250 -7.8450 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8730 28.7750 -9.7180 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3590 28.7850 -11.0110 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2400 27.7950 -11.4440 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6450 26.7650 -10.5750 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5110 25.6690 -10.7620 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6670 25.0710 -9.5070 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7280 25.6390 -8.6310 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1700 26.7490 -9.3020 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2730 27.7590 -8.8650 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 1 0
5 6 1 0
6 7 1 0
7 8 1 0
3 9 1 0
8 9 1 0
2 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
13 14 1 0
14 15 1 0
15 16 1 0
13 17 1 0
16 17 1 0
10 18 1 0
17 18 2 0
M END