HMDB0035927
     RDKit          3D
1-Nonen-4-one
 26 25  0  0  0  0  0  0  0  0999 V2000
    4.5531   -0.4317    0.0915 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9773    0.2112   -0.8979 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5670    0.5446   -1.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6199    0.1178   -0.0803 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9588   -0.4878    0.9076 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1513    0.4047   -0.1872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5677   -0.1444    0.9915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0292    0.0771    0.9995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7718   -0.5115   -0.1488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2485   -0.1766    0.0418 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6528   -0.5773    0.0479 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1022   -0.8518    0.9662 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6659    0.5625   -1.7153 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2936    0.1327   -2.1179 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5351    1.6570   -1.2825 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0511    1.5157   -0.1647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1870   -0.0295   -1.1459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3793   -1.2588    1.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1212    0.2473    1.9284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2549    1.1841    0.9990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4855   -0.3055    1.9355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4872   -0.0630   -1.1283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7180   -1.6185   -0.1847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8941   -0.7946   -0.6167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5520   -0.2750    1.1028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4317    0.8980   -0.2390 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  3 14  1  0
  3 15  1  0
  6 16  1  0
  6 17  1  0
  7 18  1  0
  7 19  1  0
  8 20  1  0
  8 21  1  0
  9 22  1  0
  9 23  1  0
 10 24  1  0
 10 25  1  0
 10 26  1  0
M  END