fragmenstein/demo/mpro_mols/Mpro-x10834.mol
RDKit 3D
20 21 0 0 0 0 0 0 0 0999 V2000
6.5030 0.5050 17.2760 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5530 0.6780 19.8750 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0460 0.0700 23.1950 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8290 1.1040 21.0650 O 0 0 0 0 0 0 0 0 0 0 0 0
10.3150 -0.4750 22.9700 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8770 1.3180 18.8470 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3400 0.0340 21.4190 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7180 -0.0660 19.6030 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1360 -0.1150 18.2770 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1300 0.7400 23.9920 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2330 -1.1720 22.1930 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7760 0.4590 23.8880 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5800 -0.8990 22.3290 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0230 1.4550 21.5500 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3950 -0.6260 20.7090 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2050 0.7330 21.1980 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3110 -1.9370 22.8910 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8300 -0.6260 22.7060 C 0 0 1 0 0 0 0 0 0 0 0 0
13.8290 -1.9700 21.3830 Br 0 0 0 0 0 0 0 0 0 0 0 0
5.3990 1.2010 17.5740 C 0 0 0 0 0 0 0 0 0 0 0 0
6 2 1 0
7 4 2 0
8 2 2 0
9 8 1 0
9 1 2 0
10 3 2 0
11 5 1 0
12 5 2 0
12 10 1 0
13 11 2 0
13 3 1 0
15 8 1 0
15 7 1 0
16 14 1 0
16 2 1 0
18 7 1 0
18 17 1 6
18 5 1 0
19 13 1 0
20 6 2 0
20 1 1 0
M END