fragmenstein/demo/mpro_mols/Mpro-x10423.mol
x10423
RDKit 3D
21 22 0 0 0 0 0 0 0 0999 V2000
7.5030 -0.6460 20.8550 N 0 0 0 0 0 0 0 0 0 0 0 0
8.3190 -1.1350 26.3170 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0700 0.9700 21.1210 O 0 0 0 0 0 0 0 0 0 0 0 0
14.1230 -1.9350 21.2440 Cl 0 0 0 0 0 0 0 0 0 0 0 0
8.6580 -1.6820 24.9680 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5440 0.5840 17.5120 N 0 0 0 0 0 0 0 0 0 0 0 0
8.4120 -0.6690 23.8730 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1880 -0.9500 22.5770 C 0 0 1 0 0 0 0 0 0 0 0 0
8.6020 -0.1170 21.4370 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7630 -0.0060 19.8330 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1810 -0.0450 18.5040 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4470 1.2800 17.8310 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9510 1.3740 19.1150 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6140 0.7370 20.1570 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1550 0.9200 21.5820 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6630 -0.6060 22.7310 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0670 0.5380 23.4080 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3960 0.9340 23.3990 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3460 0.1830 22.7240 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9420 -0.9720 22.0860 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6220 -1.3790 22.0840 C 0 0 0 0 0 0 0 0 0 0 0 0
2 5 1 0
5 7 1 0
8 7 1 1
1 9 1 0
3 9 2 0
8 9 1 0
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