fragmenstein/demo/mpro_mols/Mpro-x3080.mol
x3080
RDKit 3D
26 28 0 0 0 0 0 0 0 0999 V2000
9.6410 -0.3040 23.8790 N 0 0 0 0 0 0 0 0 0 0 0 0
8.4370 -0.2340 24.7130 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5220 0.9180 21.0920 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5330 -0.9770 22.5720 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7420 -0.5090 21.0320 N 0 0 0 0 0 0 0 0 0 0 0 0
10.7700 0.8250 25.7400 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9430 -0.0920 21.4880 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6980 0.5360 17.6460 N 0 0 0 0 0 0 0 0 0 0 0 0
11.8970 0.6160 23.5490 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9750 0.0650 19.9910 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7210 -2.5480 25.5280 N 0 0 0 0 0 0 0 0 0 0 0 0
7.4030 0.0300 18.6630 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5210 1.1020 17.9370 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0120 1.1900 19.2170 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7390 0.6690 20.2850 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2160 0.7740 21.6950 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8340 -1.4580 25.1090 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2020 -1.4890 25.0780 C 0 0 0 0 0 0 0 0 0 0 0 0
13.8890 -2.5770 25.5820 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2200 -3.6450 26.0970 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8050 -3.6760 26.1080 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0410 -4.7980 26.5070 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6820 -4.7730 26.4080 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0720 -3.6330 25.9180 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0850 -2.5620 25.6130 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0690 0.0580 24.5720 S 0 0 2 0 0 0 0 0 0 0 0 0
1 2 1 0
1 4 1 0
3 7 2 0
4 7 1 0
5 7 1 0
5 10 1 0
8 12 2 0
10 12 1 0
8 13 1 0
13 14 2 0
10 15 2 0
14 15 1 0
15 16 1 0
17 18 1 0
18 19 2 0
19 20 1 0
20 21 2 0
21 22 1 0
22 23 2 0
11 24 2 0
23 24 1 0
11 25 1 0
17 25 2 0
21 25 1 0
26 1 1 6
6 26 2 0
9 26 2 0
17 26 1 0
M END