fragmenstein/demo/mpro_mols/Mpro-x0887.mol
x0887
RDKit 3D
13 14 0 0 0 0 0 0 0 0999 V2000
4.5750 8.1140 10.7840 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9420 9.9780 9.6220 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6020 9.2770 10.7780 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3060 9.4780 9.1150 C 0 0 2 0 0 0 0 0 0 0 0 0
4.2810 9.3640 10.2690 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4810 8.0620 11.7980 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1120 9.1990 12.3330 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7900 10.4480 11.8130 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8720 10.5440 10.7820 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8400 10.3960 8.0080 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3430 9.8210 6.6810 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6520 8.5040 7.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1280 8.1250 8.4010 C 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0
4 2 1 1
1 5 2 0
4 5 1 0
1 6 1 0
6 7 2 0
7 8 1 0
5 9 1 0
8 9 2 0
4 10 1 0
10 11 1 0
11 12 1 0
4 13 1 0
12 13 1 0
M END