fragmenstein/demo/mpro_mols/Mpro-x0820.mol
x0820
RDKit 3D
17 18 0 0 0 0 0 0 0 0999 V2000
7.1460 -4.7690 21.6010 N 0 0 0 0 0 0 0 0 0 0 0 0
7.4840 -2.4390 22.4000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6100 -5.1640 20.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4170 -3.9160 22.7690 C 0 0 1 0 0 0 0 0 0 0 0 0
6.4890 -4.4420 20.4760 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8570 -3.2680 19.5790 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4250 -4.1620 23.8980 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0970 -4.3810 23.6160 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1480 -4.5960 24.6320 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5310 -4.6000 25.9320 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8810 -4.3850 26.2940 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2790 -4.3920 27.6520 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5740 -4.1900 28.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5440 -3.9640 27.0130 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1970 -3.9470 25.6940 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8540 -4.1600 25.2740 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4260 -3.5100 18.6890 R 0 0 0 0 0 0 0 0 0 0 0 0
1 4 1 0
4 2 1 6
1 5 1 0
3 5 2 0
5 6 1 0
4 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 11 1 0
11 12 1 0
12 13 2 0
13 14 1 0
14 15 2 0
7 16 1 0
11 16 2 0
15 16 1 0
6 17 1 0
M END