fragmenstein/demo/mpro_mols/Mpro-x2572.mol
x2572
RDKit 3D
19 20 0 0 0 0 0 0 0 0999 V2000
6.5200 0.5640 17.6050 N 0 0 0 0 0 0 0 0 0 0 0 0
4.7710 1.0650 21.5200 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0380 1.0160 21.1290 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3770 0.8570 20.1540 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2450 -0.3720 21.0990 N 0 0 0 0 0 0 0 0 0 0 0 0
4.7660 1.3780 19.0180 C 0 0 0 0 0 0 0 0 0 0 0 0
14.2960 -1.9320 20.5460 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3610 1.2060 17.7830 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1150 0.0530 18.6900 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5890 0.1720 19.9780 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4050 0.0800 21.6070 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9100 -0.6960 22.8070 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3940 -0.4630 22.9630 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8830 0.3610 23.9700 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2390 0.6260 24.0760 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1280 0.0680 23.1730 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6550 -0.7750 22.1700 C 0 0 0 0 0 0 0 0 0 0 0 0
13.5760 -1.4050 21.2590 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2900 -1.0370 22.0640 C 0 0 0 0 0 0 0 0 0 0 0 0
2 4 1 0
4 6 2 0
1 8 2 0
6 8 1 0
1 9 1 0
4 10 1 0
5 10 1 0
9 10 2 0
3 11 2 0
5 11 1 0
11 12 1 0
12 13 1 0
13 14 2 0
14 15 1 0
15 16 2 0
16 17 1 0
7 18 3 0
17 18 1 0
13 19 1 0
17 19 2 0
M END