fragmenstein/demo/mpro_mols/Mpro-x0759.mol
x0759
RDKit 3D
17 18 0 0 0 0 0 0 0 0999 V2000
5.7870 -4.3060 19.6900 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5700 -3.3980 19.9390 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2140 -2.6360 18.8130 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8940 -3.0500 21.2040 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3400 -3.7530 22.3700 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4510 -4.3580 23.1970 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6400 -3.5550 23.1670 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3600 -2.1770 22.9660 C 0 0 1 0 0 0 0 0 0 0 0 0
9.6400 -1.4140 23.2080 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7700 -0.6520 24.3550 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9210 0.0640 24.6090 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9310 -0.0000 23.7000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8580 -0.7370 22.5530 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6990 -1.4520 22.3130 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7680 -1.9420 21.5820 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0630 0.7050 23.9570 F 0 0 0 0 0 0 0 0 0 0 0 0
8.7890 -3.4150 18.3670 R 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
2 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 6
9 10 2 0
10 11 1 0
11 12 2 0
12 13 1 0
9 14 1 0
13 14 2 0
4 15 1 0
8 15 1 0
12 16 1 0
3 17 1 0
M END