fragmenstein/demo/mpro_mols/Mpro-x3366.mol
x3366
RDKit 3D
20 22 0 0 0 0 0 0 0 0999 V2000
6.9300 0.3390 17.9800 N 0 0 0 0 0 0 0 0 0 0 0 0
5.6170 0.3070 22.0910 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6690 1.2120 21.1960 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0790 0.2800 20.6580 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2750 -0.5700 21.3170 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2400 0.7140 19.6340 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6340 -4.5900 26.2080 N 0 0 0 0 0 0 0 0 0 0 0 0
5.6980 0.7190 18.3300 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9640 -5.2420 24.5310 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7420 -0.0920 18.9550 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3740 -0.1450 20.3030 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3840 0.1200 21.6700 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3000 -0.5630 22.6680 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6830 -1.6200 23.5560 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8080 -1.2610 24.5830 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3850 -2.1760 25.5350 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8390 -3.4820 25.4260 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3230 -5.6000 25.6260 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6740 -3.8830 24.3850 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0980 -2.9450 23.4450 C 0 0 0 0 0 0 0 0 0 0 0 0
2 4 1 0
4 6 2 0
1 8 2 0
6 8 1 0
1 10 1 0
4 11 1 0
5 11 1 0
10 11 2 0
3 12 2 0
5 12 1 0
12 13 1 0
13 14 1 0
14 15 2 0
15 16 1 0
7 17 1 0
16 17 2 0
7 18 2 0
9 18 1 0
9 19 1 0
17 19 1 0
14 20 1 0
19 20 2 0
M END