fragmenstein/demo/mpro_mols/Mpro-x1386.mol
x1386
RDKit 3D
16 17 0 0 0 0 0 0 0 0999 V2000
6.9900 -2.3420 20.7990 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2630 -2.4590 18.3440 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7620 -3.7960 19.6140 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6090 -2.9100 19.6360 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7120 -2.0990 23.0780 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5720 -2.8380 22.1070 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7840 -3.2240 22.9240 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8850 -2.5060 23.8530 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9640 -1.4530 23.8490 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0660 -1.3820 22.9440 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7740 -0.2360 23.0360 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9960 -0.3680 24.7170 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0970 -1.6070 21.7490 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8870 -1.2010 20.9430 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1360 0.7860 24.2190 S 0 0 0 0 0 0 0 0 0 0 0 0
8.8620 -3.2790 18.1330 R 0 0 0 0 0 0 0 0 0 0 0 0
1 4 1 0
2 4 1 0
3 4 2 0
1 6 1 0
5 7 1 0
6 7 1 0
5 8 1 0
8 9 1 0
9 10 1 0
10 11 2 0
9 12 2 0
5 13 1 0
1 14 1 0
13 14 1 0
11 15 1 0
12 15 1 0
2 16 1 0
M END