fragmenstein/demo/mpro_mols/Mpro-x0752.mol
x0752
RDKit 3D
15 16 0 0 0 0 0 0 0 0999 V2000
7.5200 -4.6140 21.2140 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1170 -3.0330 19.3960 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7520 -4.9040 19.8470 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7470 -4.2660 20.1960 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9190 -3.0320 25.1940 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0490 -5.4690 22.2880 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6050 -5.2220 24.5010 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9720 -4.7790 23.0820 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1410 -3.4690 23.4930 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1650 -2.7820 24.2200 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0240 -3.4710 24.5050 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9800 -4.1080 25.1380 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8390 -4.7710 24.0930 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7820 -5.4510 23.3780 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5660 -3.3190 18.3440 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
6 8 1 0
8 9 2 0
9 10 1 0
5 11 1 0
10 11 2 0
5 12 1 0
7 12 1 0
7 13 1 0
11 13 1 0
8 14 1 0
13 14 2 0
2 15 1 0
M END