fragmenstein/demo/mpro_mols/Mpro-x1425.mol
x1425
RDKit 3D
18 19 0 0 0 0 0 0 0 0999 V2000
5.5900 -3.6820 23.7200 N 0 0 0 0 0 0 0 0 0 0 0 0
1.3520 -2.3690 28.2830 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7730 -2.2450 28.2860 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4560 -2.6110 27.1570 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7380 -4.2900 21.2500 N 0 0 0 0 0 0 0 0 0 0 0 0
5.6340 -4.9840 19.4120 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9500 -3.5650 26.2840 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6630 -3.9120 25.1530 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8990 -3.3300 24.8680 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3890 -2.3660 25.7540 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6790 -2.0130 26.8870 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3120 -4.9820 23.0820 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3500 -5.4240 22.0740 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4550 -3.3250 22.0710 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5090 -2.7170 23.0830 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3840 -4.1800 19.9490 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9380 -3.0320 19.1420 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5640 -3.3920 18.4150 R 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0
3 4 1 0
4 7 2 0
7 8 1 0
1 9 1 0
8 9 2 0
9 10 1 0
4 11 1 0
10 11 2 0
1 12 1 0
5 13 1 0
12 13 1 0
5 14 1 0
1 15 1 0
14 15 1 0
5 16 1 0
6 16 2 0
16 17 1 0
17 18 1 0
M END