fragmenstein/demo/mac1_mols/mac-x0193.mol
mac-x0193
RDKit 3D
14 14 0 0 0 0 0 0 0 0999 V2000
0.4800 10.7620 -3.1740 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9430 11.9080 -3.3720 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2850 12.6000 -2.4310 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0570 12.4620 -4.7680 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5220 11.4890 -5.6970 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0770 11.3380 -6.9740 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9300 12.0320 -7.3250 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5080 10.3210 -7.7910 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0500 10.0590 -9.0870 C 0 0 2 0 0 0 0 0 0 0 0 0
0.0210 9.8970 -10.1750 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6070 9.3600 -11.4540 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4100 8.1230 -11.1950 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3640 8.2000 -10.0220 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7510 8.7490 -8.7920 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
2 4 1 0
4 5 1 0
5 6 1 0
6 7 2 0
6 8 1 0
9 8 1 1
9 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
9 14 1 0
13 14 1 0
M END