fragmenstein/demo/mpro_mols/Mpro-x10723.mol
RDKit 3D
18 19 0 0 0 0 0 0 0 0999 V2000
11.0020 0.3760 23.6650 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5000 0.5960 17.3770 N 0 0 0 0 0 0 0 0 0 0 0 0
11.4030 -1.1440 21.8920 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3070 0.6360 23.8280 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4930 0.8310 19.9920 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7470 -0.9000 22.0580 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9740 1.0240 21.3940 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4930 -0.4890 22.7120 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8600 1.4360 18.9120 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4880 0.0120 21.3030 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3600 -0.5110 20.7890 N 0 0 0 0 0 0 0 0 0 0 0 0
9.0540 0.9900 20.8290 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6530 0.0800 19.7220 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0050 -0.6880 22.5450 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1100 -0.0050 18.4050 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1730 0.0140 23.0180 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3860 1.2910 17.6430 C 0 0 0 0 0 0 0 0 0 0 0 0
13.8990 -1.8260 21.1380 Cl 0 0 0 0 0 0 0 0 0 0 0 0
4 1 2 0
6 3 1 0
7 5 1 0
8 3 2 0
8 1 1 0
9 5 1 0
11 10 1 0
12 10 2 0
13 11 1 0
13 5 2 0
14 10 1 0
14 8 1 0
15 13 1 0
15 2 2 0
16 6 2 0
16 4 1 0
17 9 2 0
17 2 1 0
18 6 1 0
M END