fragmenstein/demo/mpro_mols/Mpro-x10555.mol
RDKit 3D
17 19 0 0 0 0 0 0 0 0999 V2000
9.8140 0.4670 21.0300 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9700 0.1530 21.8520 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3390 -0.4050 23.2090 C 0 0 2 0 0 0 0 0 0 0 0 0
10.8310 -0.8470 23.4020 C 0 0 1 0 0 0 0 0 0 0 0 0
11.8970 -1.1330 22.3030 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7390 0.0290 22.8270 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8740 0.0790 24.0870 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3040 -2.0980 24.1480 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9200 -1.8540 23.5190 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6500 0.3780 21.6820 N 0 0 0 0 0 0 0 0 0 0 0 0
6.8930 0.4600 20.4860 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5420 0.8520 20.5660 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8500 1.0640 21.8890 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4350 0.2010 19.2230 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7650 0.3740 18.0800 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5030 0.8060 18.1700 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8600 1.0420 19.3680 C 0 0 0 0 0 0 0 0 0 0 0 0
2 1 2 0
3 2 1 6
4 3 1 0
4 5 1 6
6 5 1 0
7 4 1 0
7 6 1 0
8 4 1 0
9 8 1 0
9 3 1 0
10 2 1 0
11 10 1 0
12 11 2 0
13 12 1 0
14 11 1 0
15 14 2 0
16 15 1 0
17 16 2 0
17 12 1 0
M END