fragmenstein/demo/mpro_mols/Mpro-x1493.mol
x1493
RDKit 3D
13 13 0 0 0 0 0 0 0 0999 V2000
6.1630 -5.1470 24.2780 N 0 0 0 0 0 0 0 0 0 0 0 0
4.8540 -6.1540 26.0760 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1430 -5.5770 26.2480 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1390 -5.6030 25.5450 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8390 -4.9370 21.5440 N 0 0 0 0 0 0 0 0 0 0 0 0
5.9270 -4.2600 19.5840 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1980 -5.5330 23.2420 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9010 -5.9680 21.9740 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8270 -4.6220 22.5750 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1300 -4.1490 23.8270 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8680 -4.2880 20.3650 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1660 -3.5950 20.0620 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4850 -3.2950 18.3180 R 0 0 0 0 0 0 0 0 0 0 0 0
1 4 1 0
2 4 1 0
3 4 2 0
1 7 1 0
5 8 1 0
7 8 1 0
5 9 1 0
1 10 1 0
9 10 1 0
5 11 1 0
6 11 2 0
11 12 1 0
12 13 1 0
M END