fragmenstein/demo/mpro_mols/Mpro-x3108.mol
x3108
RDKit 3D
21 22 0 0 0 0 0 0 0 0999 V2000
6.7570 0.2050 17.9540 N 0 0 0 0 0 0 0 0 0 0 0 0
5.8850 1.4350 21.9980 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7590 1.7080 21.2260 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1940 0.9730 20.5970 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2930 -0.0270 21.3300 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0650 0.1590 25.1370 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3080 1.2380 19.5510 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3700 -0.9380 23.6740 N 0 0 0 0 0 0 0 0 0 0 0 0
5.6260 0.8390 18.2690 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0030 -4.9740 24.3620 N 0 0 0 0 0 0 0 0 0 0 0 0
7.6140 -0.0600 18.9490 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3860 0.2930 20.2840 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3330 0.7110 21.7920 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9560 0.2520 23.0990 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3530 -0.8700 24.5300 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5260 -2.1320 24.6720 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3440 -3.3570 25.0170 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2110 -3.9980 26.2370 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9730 -5.1150 26.5170 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8540 -5.5630 25.5530 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2520 -3.8920 24.1160 C 0 0 0 0 0 0 0 0 0 0 0 0
2 4 1 0
4 7 2 0
1 9 2 0
7 9 1 0
1 11 1 0
4 12 1 0
5 12 1 0
11 12 2 0
3 13 2 0
5 13 1 0
8 14 1 0
13 14 1 0
6 15 2 0
8 15 1 0
15 16 1 0
16 17 1 0
17 18 1 0
18 19 2 0
10 20 2 0
19 20 1 0
10 21 1 0
17 21 2 0
M END