HMDB0062626
     RDKit          3D
Phenylethanolaminium
 22 22  0  0  0  0  0  0  0  0999 V2000
   -2.0622    1.1972   -0.2035 N   0  0  0  0  0  4  0  0  0  0  0  0
   -2.0645   -0.1810   -0.5772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0606   -0.9959    0.2466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0931   -2.3311   -0.1462 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3050   -0.4274    0.1539 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1205   -0.6382   -0.9511 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3916   -0.0779   -0.9763 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8888    0.6856    0.0527 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0932    0.9023    1.1519 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8373    0.3419    1.1640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2864    1.8397   -1.0187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8085    1.4302    0.5139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1379    1.4506    0.1976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9316   -0.3686   -1.6549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0669   -0.6080   -0.3145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000   -0.9195    1.2997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0434   -2.9476    0.6431 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7690   -1.2346   -1.7867 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0262   -0.2515   -1.8544 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8918    1.1244    0.0264 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4370    1.5040    2.0043 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1947    0.5053    2.0295 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
  9 10  2  0
 10  5  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  3 16  1  0
  4 17  1  0
  6 18  1  0
  7 19  1  0
  8 20  1  0
  9 21  1  0
 10 22  1  0
M  CHG  1   1   1
M  END