HMDB0004825
     RDKit          3D
p-Octopamine
 22 22  0  0  0  0  0  0  0  0999 V2000
    3.4737    0.6352    0.5524 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0535    0.5182    0.6846 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292   -0.2504   -0.4640 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7238    0.4410   -1.6316 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0470   -0.3120   -0.3335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6805   -1.4854    0.0161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0495   -1.5376    0.1359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8170   -0.4134   -0.0922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1916   -0.4664    0.0282 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2073    0.7706   -0.4427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8340    0.8009   -0.5572 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0246   -0.0865    1.0274 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7517    0.8267   -0.4284 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7918   -0.0169    1.6157 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292    1.5382    0.7715 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8135   -1.2692   -0.5157 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7165    1.4055   -1.4275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0765   -2.3704    0.1957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5513   -2.4658    0.4125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7880    0.3123   -0.1248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8034    1.6767   -0.6283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3615    1.7488   -0.8366 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11  5  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  3 16  1  6
  4 17  1  0
  6 18  1  0
  7 19  1  0
  9 20  1  0
 10 21  1  0
 11 22  1  0
M  END