fragmenstein/demo/mpro_mols/Mpro-7kfj.mol
RDKit 3D
13 13 0 0 0 0 0 0 0 0999 V2000
-1.0650 6.6200 -2.6380 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9300 6.9540 -1.5600 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.2060 7.2300 -0.3600 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8160 5.7580 -1.2440 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2220 4.4480 -1.6350 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.4860 3.3700 -0.6430 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2820 3.0410 0.2330 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.6840 2.3940 1.5450 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4890 0.8810 1.5290 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0380 0.4820 1.2970 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6910 1.4890 0.4300 C 0 0 2 0 0 0 0 0 0 0 0 0
1.2880 2.4570 1.2670 F 0 0 0 0 0 0 0 0 0 0 0 0
-0.2750 2.1710 -0.5140 C 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 6
3 2 1 0
4 2 1 0
5 4 1 0
6 5 1 0
7 6 1 6
8 7 1 0
9 8 1 0
10 9 1 0
11 10 1 0
11 12 1 1
13 11 1 0
13 7 1 0
M END