fragmenstein/demo/mpro_mols/Mpro-x10395.mol
x10395
RDKit 3D
21 22 0 0 0 0 0 0 0 0999 V2000
8.9050 -2.0230 23.1380 N 0 0 0 0 0 0 0 0 0 0 0 0
7.5660 -2.0110 23.7260 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3110 1.0160 21.1020 O 0 0 0 0 0 0 0 0 0 0 0 0
14.2130 -1.4980 21.0410 Cl 0 0 0 0 0 0 0 0 0 0 0 0
9.7980 -2.8070 23.9960 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7250 -0.6080 21.0130 N 0 0 0 0 0 0 0 0 0 0 0 0
9.3750 -0.6420 22.8400 C 0 0 2 0 0 0 0 0 0 0 0 0
6.7320 0.5290 17.6460 N 0 0 0 0 0 0 0 0 0 0 0 0
8.8080 -0.0040 21.5590 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9360 -0.0700 19.9680 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3670 -0.0940 18.6430 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6030 1.1820 17.9490 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0760 1.2410 19.2240 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7390 0.6120 20.2730 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1950 0.6820 21.6770 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8790 -0.4340 22.9780 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3720 0.4850 23.8960 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7090 0.8490 23.8870 C 0 0 0 0 0 0 0 0 0 0 0 0
13.5840 0.2760 22.9770 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1010 -0.6750 22.1030 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7640 -1.0300 22.0810 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
1 5 1 0
1 7 1 0
3 9 2 0
6 9 1 0
7 9 1 6
6 10 1 0
8 11 2 0
10 11 1 0
8 12 1 0
12 13 2 0
10 14 2 0
13 14 1 0
14 15 1 0
7 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