HMDB0031446
     RDKit          3D
p-Isopropylphenol
 22 22  0  0  0  0  0  0  0  0999 V2000
   -2.0350    1.0521    0.7284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5393   -0.3284    0.3189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3026   -0.7162   -0.9355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0817   -0.2229    0.0489 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4365    0.6177   -0.9094 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7879    0.7194   -1.1639 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6501   -0.0434   -0.4375 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0163    0.0377   -0.6714 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1663   -0.8926    0.5264 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8077   -0.9873    0.7741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9310    0.9933    1.3703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2101    1.6038   -0.2095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1847    1.5534    1.2412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7451   -1.0487    1.1146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1691   -1.7987   -1.1607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9467   -0.0860   -1.7731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3578   -0.4900   -0.7509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2567    1.2196   -1.4812 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1687    1.3840   -1.9184 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4281    0.6310   -1.3528 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8284   -1.5215    1.1306 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4698   -1.6763    1.5503 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10  4  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  3 15  1  0
  3 16  1  0
  3 17  1  0
  5 18  1  0
  6 19  1  0
  8 20  1  0
  9 21  1  0
 10 22  1  0
M  END