fragmenstein/demo/mpro_mols/Mpro-x0425.mol
x0425
RDKit 3D
15 17 0 0 0 0 0 0 0 0999 V2000
2.2380 -24.9450 0.8790 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0100 -23.5810 0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9640 -22.7920 0.2290 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1170 -23.3300 -0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1860 -22.4570 -0.7270 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4060 -22.8680 -1.1170 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2630 -21.5620 -1.3320 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1680 -20.4630 -1.5930 C 0 0 1 0 0 0 0 0 0 0 0 0
6.7020 -19.0520 -1.3270 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3960 -18.7650 -2.4650 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6450 -19.5830 -3.6870 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7530 -20.3930 -3.1460 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1420 -20.8070 -0.7850 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3490 -24.7070 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -25.4800 0.4990 N 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 1 0
6 7 1 0
8 7 1 6
8 9 1 0
9 10 1 0
10 11 1 0
8 12 1 0
11 12 1 0
5 13 1 0
8 13 1 0
4 14 1 0
1 15 1 0
14 15 2 0
M END