HMDB0030837
     RDKit          3D
Anethole
 23 23  0  0  0  0  0  0  0  0999 V2000
   -3.0721    1.1723    0.4409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2453   -0.2273    0.0602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2752   -1.0597   -0.1862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8682   -0.7883   -0.1303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2539    0.2579    0.4278 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1365    0.4429    0.3359 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9450   -0.4386   -0.3292 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3185   -0.2395   -0.4100 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8993    0.8973    0.2068 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3260   -1.5173   -0.9044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0306   -1.7021   -0.8183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0934    1.6931    0.2700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4045    1.7407   -0.2411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9243    1.3431    1.5199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3022   -0.5904   -0.0168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5929   -2.0968   -0.4610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7812    0.9955    1.0138 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5696    1.3084    0.8068 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0001    0.8062    0.2905 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6712    1.7794   -0.4162 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5360    1.0204    1.2626 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9294   -2.2302   -1.4354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4880   -2.5671   -1.2862 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  7 10  1  0
 10 11  2  0
 11  4  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  3 16  1  0
  5 17  1  0
  6 18  1  0
  9 19  1  0
  9 20  1  0
  9 21  1  0
 10 22  1  0
 11 23  1  0
M  END