fragmenstein/demo/mpro_mols/Mpro-x10359.mol
x10359
RDKit 3D
18 19 0 0 0 0 0 0 0 0999 V2000
6.7730 0.5300 17.5590 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3920 0.8190 21.6370 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5640 0.5720 20.9720 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8610 0.6730 20.2120 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7180 -0.7590 20.8790 N 0 0 0 0 0 0 0 0 0 0 0 0
12.4010 0.8880 25.4300 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1980 1.3240 19.1790 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6770 1.2220 17.8890 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4160 -0.1080 18.5420 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0030 -0.0750 19.8750 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9590 -0.4470 21.3030 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5640 -1.4670 22.2440 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9300 -1.0260 22.7100 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0700 -1.3540 21.9910 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3160 -0.9050 22.3940 C 0 0 0 0 0 0 0 0 0 0 0 0
13.4420 -0.1310 23.5360 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3090 0.1780 24.2750 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0610 -0.2570 23.8600 C 0 0 0 0 0 0 0 0 0 0 0 0
2 4 1 0
4 7 2 0
1 8 2 0
7 8 1 0
1 9 1 0
4 10 1 0
5 10 1 0
9 10 2 0
3 11 2 0
5 11 1 0
11 12 1 0
12 13 1 0
13 14 2 0
14 15 1 0
15 16 2 0
6 17 1 0
16 17 1 0
13 18 1 0
17 18 2 0
M END