HEADER
HETATM    1  C1  ORG A   1      -2.085   1.836   0.038
HETATM    2  H1  ORG A   1      -2.121   1.147   0.876
HETATM    3  C2  ORG A   1      -1.537   3.061   0.199
HETATM    4  C3  ORG A   1      -1.413   4.077  -0.950
HETATM    5  C4  ORG A   1      -1.676   3.400  -2.331
HETATM    6  H2  ORG A   1      -1.834   4.171  -3.098
HETATM    7  C5  ORG A   1      -2.887   2.459  -2.317
HETATM    8  H3  ORG A   1      -3.794   3.034  -2.087
HETATM    9  C6  ORG A   1      -2.670   1.402  -1.260
HETATM   10  O1  ORG A   1      -2.966   0.210  -1.469
HETATM   11  C7  ORG A   1       0.048   4.643  -0.965
HETATM   12  H4  ORG A   1       0.712   3.801  -1.233
HETATM   13  C8  ORG A   1       0.511   5.133   0.441
HETATM   14  H5  ORG A   1      -0.142   5.950   0.778
HETATM   15  C9  ORG A   1       0.419   3.989   1.471
HETATM   16  H6  ORG A   1       0.735   4.349   2.459
HETATM   17  H7  ORG A   1       1.079   3.166   1.169
HETATM   18  C10 ORG A   1      -1.019   3.465   1.569
HETATM   19  H8  ORG A   1      -1.046   2.609   2.259
HETATM   20  H9  ORG A   1      -1.660   4.257   1.979
HETATM   21  C11 ORG A   1       0.258   5.729  -2.057
HETATM   22  H10 ORG A   1       0.062   5.294  -3.047
HETATM   23  H11 ORG A   1      -0.455   6.545  -1.898
HETATM   24  C12 ORG A   1       1.683   6.321  -2.068
HETATM   25  H12 ORG A   1       2.391   5.534  -2.373
HETATM   26  H13 ORG A   1       1.737   7.137  -2.800
HETATM   27  C13 ORG A   1       2.057   6.849  -0.667
HETATM   28  C14 ORG A   1       1.954   5.662   0.328
HETATM   29  H14 ORG A   1       2.574   4.836  -0.068
HETATM   30  C15 ORG A   1       2.680   6.177   1.587
HETATM   31  H15 ORG A   1       3.097   5.351   2.177
HETATM   32  H16 ORG A   1       1.993   6.764   2.210
HETATM   33  C16 ORG A   1       3.802   7.096   1.040
HETATM   34  H17 ORG A   1       3.745   8.071   1.531
HETATM   35  H18 ORG A   1       4.791   6.653   1.219
HETATM   36  C17 ORG A   1       3.547   7.252  -0.486
HETATM   37  H19 ORG A   1       4.179   6.521  -1.018
HETATM   38  O2  ORG A   1       3.843   8.541  -0.977
HETATM   39  H20 ORG A   1       4.782   8.683  -0.793
HETATM   40  C18 ORG A   1       1.156   8.053  -0.283
HETATM   41  H21 ORG A   1      -3.008   1.987  -3.300
HETATM   42  H22 ORG A   1      -0.795   2.807  -2.615
HETATM   43  C19 ORG A   1      -2.459   5.200  -0.721
HETATM   44  H23 ORG A   1      -2.465   5.900  -1.567
HETATM   45  H24 ORG A   1      -3.459   4.764  -0.625
HETATM   46  H25 ORG A   1      -2.235   5.758   0.197
HETATM   47  H26 ORG A   1       1.336   8.873  -0.982
HETATM   48  H27 ORG A   1       0.091   7.783  -0.318
HETATM   49  H28 ORG A   1       1.395   8.402   0.727
CONECT    1    2    3    9
CONECT    2    1
CONECT    3    1    4   18
CONECT    4    3    5   11   43
CONECT    5    4    6    7   42
CONECT    6    5
CONECT    7    5    8    9   41
CONECT    8    7
CONECT    9    1    7   10
CONECT   10    9
CONECT   11    4   12   13   21
CONECT   12   11
CONECT   13   11   14   15   28
CONECT   14   13
CONECT   15   13   16   17   18
CONECT   16   15
CONECT   17   15
CONECT   18    3   15   19   20
CONECT   19   18
CONECT   20   18
CONECT   21   11   22   23   24
CONECT   22   21
CONECT   23   21
CONECT   24   21   25   26   27
CONECT   25   24
CONECT   26   24
CONECT   27   24   28   36   40
CONECT   28   13   27   29   30
CONECT   29   28
CONECT   30   31   32   33   28
CONECT   31   30
CONECT   32   30
CONECT   33   30   34   35   36
CONECT   34   33
CONECT   35   33
CONECT   36   27   33   37   38
CONECT   37   36
CONECT   38   36   39
CONECT   39   38
CONECT   40   27   47   48   49
CONECT   41    7
CONECT   42    5
CONECT   43    4   44   45   46
CONECT   44   43
CONECT   45   43
CONECT   46   43
CONECT   47   40
CONECT   48   40
CONECT   49   40
END  
