fragmenstein/demo/mpro_mols/Mpro-x10900.mol
RDKit 3D
19 20 0 0 0 0 0 0 0 0999 V2000
7.4080 -0.5430 20.8980 N 0 0 0 0 0 0 0 0 0 0 0 0
12.3200 0.8110 23.7810 N 0 0 0 0 0 0 0 0 0 0 0 0
9.0490 -0.8020 22.6750 C 0 0 1 0 0 0 0 0 0 0 0 0
13.2060 0.1380 23.0350 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0360 1.0320 21.5110 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5030 -0.0150 21.4810 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8590 1.3560 19.0210 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3850 1.2180 17.7530 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1620 0.0000 18.5200 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0250 0.4820 23.6650 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4730 -1.2120 22.0730 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5380 -0.5080 22.8210 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8090 -0.8870 22.1810 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2450 -0.5470 23.9510 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5260 0.5690 17.4910 N 0 0 0 0 0 0 0 0 0 0 0 0
9.0380 1.0120 21.0860 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5200 0.7870 20.1050 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7040 0.0680 19.8360 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9800 -1.7870 21.2550 Cl 0 0 0 0 0 0 0 0 0 0 0 0
4 2 2 0
6 1 1 0
6 3 1 0
8 7 2 0
10 2 1 0
12 3 1 0
12 11 1 0
12 10 2 0
13 11 2 0
13 4 1 0
3 14 1 1
15 8 1 0
15 9 2 0
16 6 2 0
17 7 1 0
17 5 1 0
18 17 2 0
18 9 1 0
18 1 1 0
19 13 1 0
M END