fragmenstein/demo/mpro_mols/Mpro-x0769.mol
x0769
RDKit 3D
20 21 0 0 0 0 0 0 0 0999 V2000
5.4990 -5.3150 24.3460 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2290 -2.5750 26.0270 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8050 -5.0820 26.7710 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4060 -1.4730 26.0770 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5500 -5.0180 21.7570 N 0 0 0 0 0 0 0 0 0 0 0 0
3.9300 -6.4340 25.8920 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0380 -1.6520 25.9750 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8260 -4.6150 19.6580 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 -2.9110 25.8210 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3260 -4.0180 25.7660 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7020 -3.8600 25.8660 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4580 -4.2390 24.0540 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3570 -4.6790 22.9300 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5890 -6.0780 22.0510 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6770 -5.6550 23.1730 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6510 -4.4320 20.5430 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8290 -3.5280 20.3010 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5650 -2.3880 26.1300 F 0 0 0 0 0 0 0 0 0 0 0 0
4.7630 -5.2740 25.8110 S 0 0 2 0 0 0 0 0 0 0 0 0
8.3210 -3.4010 18.5590 R 0 0 0 0 0 0 0 0 0 0 0 0
2 4 2 0
4 7 1 0
7 9 2 0
9 10 1 0
2 11 1 0
10 11 2 0
1 12 1 0
5 13 1 0
12 13 1 0
5 14 1 0
1 15 1 0
14 15 1 0
5 16 1 0
8 16 2 0
16 17 1 0
2 18 1 0
1 19 1 0
3 19 2 0
6 19 2 0
19 11 1 6
17 20 1 0
M END