fragmenstein/demo/mac1_mols/mac-x0302.mol
mac-x0302
RDKit 3D
14 14 0 0 0 0 0 0 0 0999 V2000
1.4480 14.2390 -3.6260 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4670 14.1000 -2.9060 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6110 13.6170 -1.8270 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9420 14.5920 -3.3730 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8030 14.6610 -2.2810 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.1150 15.1460 -2.4380 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5070 15.4410 -3.4420 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9650 15.1360 -1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3630 15.1420 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1290 15.0980 1.1850 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5320 15.0580 1.0710 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1120 15.0490 -0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4250 14.9610 -0.3560 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3660 15.0850 -1.3230 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
8 9 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 1 0
8 14 1 0
12 14 2 0
M END