HEADER
HETATM    1  C1  ORG A   1      -0.418   0.065   0.139
HETATM    2  O1  ORG A   1       0.359   0.930   0.925
HETATM    3  H1  ORG A   1      -1.002   0.674  -0.532
HETATM    4  C2  ORG A   1       0.411  -0.871  -0.678
HETATM    5  C3  ORG A   1      -1.354  -0.710   1.019
HETATM    6  O2  ORG A   1      -0.413  -1.701  -1.447
HETATM    7  H2  ORG A   1       0.997  -0.280  -1.357
HETATM    8  O3  ORG A   1       1.258  -1.645   0.120
HETATM    9  C4  ORG A   1      -1.329  -2.491  -0.723
HETATM   10  C5  ORG A   1      -2.188  -1.656   0.195
HETATM   11  H3  ORG A   1      -0.763  -1.279   1.721
HETATM   12  O4  ORG A   1      -2.155   0.177   1.759
HETATM   13  C6  ORG A   1      -2.166  -3.294  -1.682
HETATM   14  H4  ORG A   1      -0.757  -3.185  -0.122
HETATM   15  H5  ORG A   1      -2.846  -1.073  -0.423
HETATM   16  O5  ORG A   1      -3.010  -2.422   1.043
HETATM   17  C7  ORG A   1       2.638  -1.531  -0.121
HETATM   18  H6  ORG A   1       2.826  -0.794  -0.892
HETATM   19  C8  ORG A   1       3.315  -1.061   1.145
HETATM   20  C9  ORG A   1       3.213  -2.857  -0.582
HETATM   21  C10 ORG A   1       2.734  -3.290  -1.945
HETATM   22  O6  ORG A   1       4.623  -2.837  -0.607
HETATM   23  H7  ORG A   1       2.908  -3.615   0.119
HETATM   24  C11 ORG A   1       4.807  -1.114   0.992
HETATM   25  O7  ORG A   1       2.975   0.250   1.530
HETATM   26  H8  ORG A   1       3.031  -1.718   1.950
HETATM   27  H9  ORG A   1       5.089  -0.437   0.198
HETATM   28  O8  ORG A   1       5.425  -0.652   2.158
HETATM   29  C12 ORG A   1       5.234  -2.487   0.600
HETATM   30  H10 ORG A   1       6.294  -2.479   0.448
HETATM   31  O9  ORG A   1       4.951  -3.444   1.572
HETATM   32  H11 ORG A   1       5.085  -4.298   1.118
HETATM   33  H12 ORG A   1       4.825   0.041   2.479
HETATM   34  H13 ORG A   1       2.041   0.376   1.326
HETATM   35  H14 ORG A   1      -0.284   1.297   1.556
HETATM   36  H15 ORG A   1      -2.929  -0.349   2.019
HETATM   37  H16 ORG A   1      -2.431  -3.023   1.551
HETATM   38  O10 ORG A   1      -2.983  -2.470  -2.472
HETATM   39  H17 ORG A   1      -1.515  -3.870  -2.326
HETATM   40  H18 ORG A   1      -2.794  -3.979  -1.126
HETATM   41  O11 ORG A   1       1.397  -3.724  -1.961
HETATM   42  H19 ORG A   1       2.871  -2.490  -2.662
HETATM   43  H20 ORG A   1       3.336  -4.124  -2.267
HETATM   44  H21 ORG A   1       0.853  -2.927  -1.914
HETATM   45  H22 ORG A   1      -3.407  -3.048  -3.133
CONECT    1    2    3    4    5
CONECT    2    1   35
CONECT    3    1
CONECT    4    1    6    7    8
CONECT    5    1   10   11   12
CONECT    6    4    9
CONECT    7    4
CONECT    8    4   17
CONECT    9    6   13   14   10
CONECT   10    5   15   16    9
CONECT   11    5
CONECT   12    5   36
CONECT   13    9   38   39   40
CONECT   14    9
CONECT   15   10
CONECT   16   10   37
CONECT   17    8   18   19   20
CONECT   18   17
CONECT   19   17   24   25   26
CONECT   20   17   21   22   23
CONECT   21   20   41   42   43
CONECT   22   20   29
CONECT   23   20
CONECT   24   19   27   28   29
CONECT   25   19   34
CONECT   26   19
CONECT   27   24
CONECT   28   24   33
CONECT   29   22   30   31   24
CONECT   30   29
CONECT   31   29   32
CONECT   32   31
CONECT   33   28
CONECT   34   25
CONECT   35    2
CONECT   36   12
CONECT   37   16
CONECT   38   13   45
CONECT   39   13
CONECT   40   13
CONECT   41   21   44
CONECT   42   21
CONECT   43   21
CONECT   44   41
CONECT   45   38
END  
