fragmenstein/demo/mpro_mols/Mpro-x10247.mol
x10247
RDKit 3D
21 22 0 0 0 0 0 0 0 0999 V2000
6.6450 0.7800 17.1810 N 0 0 0 0 0 0 0 0 0 0 0 0
4.9140 0.9390 21.1250 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0330 0.5550 20.8330 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4710 0.8060 19.7310 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1970 -0.7360 20.4780 N 0 0 0 0 0 0 0 0 0 0 0 0
4.9460 1.5550 18.6860 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5620 1.5240 17.4530 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1470 0.0370 18.1740 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6020 0.0190 19.4530 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3810 -0.4620 21.0560 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8600 -1.5240 22.0220 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0340 -1.0060 22.8120 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8430 -0.2270 23.9480 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9250 0.2330 24.6790 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2090 -0.0940 24.2840 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4210 -0.8810 23.1570 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3300 -1.3200 22.4190 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7920 -1.3500 22.8050 C 0 0 2 0 0 0 0 0 0 0 0 0
14.0160 -1.3730 21.4840 F 0 0 0 0 0 0 0 0 0 0 0 0
14.0550 -2.5680 23.2950 F 0 0 0 0 0 0 0 0 0 0 0 0
14.7140 -0.5520 23.2860 F 0 0 0 0 0 0 0 0 0 0 0 0
2 4 1 0
4 6 2 0
1 7 2 0
6 7 1 0
1 8 1 0
4 9 1 0
5 9 1 0
8 9 2 0
3 10 2 0
5 10 1 0
10 11 1 0
11 12 1 0
12 13 2 0
13 14 1 0
14 15 2 0
15 16 1 0
12 17 1 0
16 17 2 0
16 18 1 0
18 19 1 6
18 20 1 0
18 21 1 0
M END