fragmenstein/demo/mpro_mols/Mpro-x10327.mol
x10327
RDKit 3D
21 22 0 0 0 0 0 0 0 0999 V2000
7.5730 -0.4020 20.9960 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2040 -0.1590 24.1510 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8650 1.4160 21.3850 O 0 0 0 0 0 0 0 0 0 0 0 0
14.0930 -1.9530 21.2430 Cl 0 0 0 0 0 0 0 0 0 0 0 0
8.6630 -0.6010 24.1290 C 0 0 2 0 0 0 0 0 0 0 0 0
6.7390 0.5690 17.5320 N 0 0 0 0 0 0 0 0 0 0 0 0
9.4740 0.1430 25.1830 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3060 -0.5610 22.6900 C 0 0 1 0 0 0 0 0 0 0 0 0
8.5450 0.2630 21.6520 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8580 0.1320 19.8970 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3330 0.0080 18.5900 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6170 1.2630 17.7540 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0570 1.4310 19.0050 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6770 0.8720 20.1170 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1180 1.1000 21.4980 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7900 -0.2220 22.6550 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2790 1.0030 23.0990 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6330 1.2970 23.0220 C 0 0 0 0 0 0 0 0 0 0 0 0
13.5170 0.3750 22.4820 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0170 -0.8230 22.0120 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6770 -1.1380 22.1020 C 0 0 0 0 0 0 0 0 0 0 0 0
5 2 1 6
5 7 1 0
5 8 1 0
1 9 1 0
3 9 2 0
8 9 1 6
1 10 1 0
6 11 2 0
10 11 1 0
6 12 1 0
12 13 2 0
10 14 2 0
13 14 1 0
14 15 1 0
8 16 1 0
16 17 2 0
17 18 1 0
18 19 2 0
4 20 1 0
19 20 1 0
16 21 1 0
20 21 2 0
M END