fragmenstein/demo/mpro_mols/Mpro-x0734.mol
x0734
RDKit 3D
19 20 0 0 0 0 0 0 0 0999 V2000
5.1900 -4.8210 26.1240 N 0 0 0 0 0 0 0 0 0 0 0 0
6.6470 -4.9430 26.2040 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5620 -5.7020 25.5580 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1680 -5.3380 27.4310 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9760 -4.2750 23.8830 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6590 -3.8650 26.6640 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5340 -5.4730 27.5810 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8490 -4.1790 21.0550 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3870 -4.5490 19.3770 O 0 0 0 0 0 0 0 0 0 0 0 0
9.3830 -5.2170 26.5210 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8750 -4.8200 25.2950 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5020 -4.6760 25.1100 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4010 -3.0620 23.1730 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8580 -3.3870 21.7670 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4620 -5.3910 21.7750 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9550 -5.0310 23.1510 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3070 -3.9000 19.8500 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9210 -2.7960 19.0430 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5330 -3.3850 18.4660 R 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
1 3 2 0
2 4 2 0
1 6 1 0
4 7 1 0
7 10 2 0
10 11 1 0
2 12 1 0
5 12 1 0
11 12 2 0
5 13 1 0
8 14 1 0
13 14 1 0
8 15 1 0
5 16 1 0
15 16 1 0
8 17 1 0
9 17 2 0
17 18 1 0
18 19 1 0
M CHG 2 1 1 6 -1
M END