HEADER
HETATM    1  C1  ORG A   1      -2.710   1.699  -0.442
HETATM    2  H1  ORG A   1      -3.674   2.217  -0.304
HETATM    3  C2  ORG A   1      -1.575   2.680  -0.179
HETATM    4  C3  ORG A   1      -1.222   3.702  -1.270
HETATM    5  C4  ORG A   1      -1.061   2.937  -2.617
HETATM    6  H2  ORG A   1      -0.890   3.654  -3.435
HETATM    7  C5  ORG A   1      -2.272   2.064  -2.982
HETATM    8  H3  ORG A   1      -3.128   2.707  -3.231
HETATM    9  C6  ORG A   1      -2.654   1.143  -1.848
HETATM   10  O1  ORG A   1      -3.209  -0.095  -2.148
HETATM   11  C7  ORG A   1       0.139   4.412  -0.963
HETATM   12  H4  ORG A   1       0.942   3.672  -1.137
HETATM   13  C8  ORG A   1       0.236   4.814   0.533
HETATM   14  H5  ORG A   1      -0.619   5.453   0.795
HETATM   15  C9  ORG A   1       0.185   3.549   1.410
HETATM   16  H6  ORG A   1       0.029   3.851   2.457
HETATM   17  H7  ORG A   1       1.142   3.009   1.346
HETATM   18  C10 ORG A   1      -0.923   2.607   1.001
HETATM   19  H8  ORG A   1      -1.210   1.840   1.713
HETATM   20  C11 ORG A   1       0.424   5.600  -1.923
HETATM   21  H9  ORG A   1       0.523   5.223  -2.951
HETATM   22  H10 ORG A   1      -0.419   6.297  -1.898
HETATM   23  C12 ORG A   1       1.702   6.392  -1.576
HETATM   24  H11 ORG A   1       2.578   5.743  -1.738
HETATM   25  H12 ORG A   1       1.785   7.259  -2.249
HETATM   26  C13 ORG A   1       1.661   6.862  -0.105
HETATM   27  C14 ORG A   1       1.546   5.587   0.775
HETATM   28  H13 ORG A   1       2.375   4.912   0.489
HETATM   29  C15 ORG A   1       1.875   6.088   2.196
HETATM   30  H14 ORG A   1       2.286   5.284   2.820
HETATM   31  H15 ORG A   1       0.976   6.500   2.671
HETATM   32  C16 ORG A   1       2.914   7.217   1.978
HETATM   33  H16 ORG A   1       2.568   8.118   2.494
HETATM   34  H17 ORG A   1       3.892   6.920   2.383
HETATM   35  C17 ORG A   1       3.003   7.448   0.439
HETATM   36  H18 ORG A   1       3.797   6.771   0.068
HETATM   37  C18 ORG A   1       3.380   8.876  -0.040
HETATM   38  C19 ORG A   1       4.906   9.020  -0.265
HETATM   39  C20 ORG A   1       0.481   7.844   0.118
HETATM   40  H19 ORG A   1      -2.026   1.461  -3.866
HETATM   41  H20 ORG A   1      -0.181   2.280  -2.548
HETATM   42  C21 ORG A   1      -2.383   4.727  -1.370
HETATM   43  H21 ORG A   1      -2.225   5.410  -2.214
HETATM   44  H22 ORG A   1      -3.334   4.207  -1.526
HETATM   45  H23 ORG A   1      -2.458   5.312  -0.444
HETATM   46  H24 ORG A   1       0.596   8.724  -0.528
HETATM   47  H25 ORG A   1      -0.477   7.368  -0.123
HETATM   48  H26 ORG A   1       0.447   8.173   1.163
HETATM   49  H27 ORG A   1      -2.661   0.872   0.289
HETATM   50  H28 ORG A   1      -3.484  -0.485  -1.306
HETATM   51  H29 ORG A   1       2.921   9.010  -1.033
HETATM   52  C22 ORG A   1       2.846  10.023   0.844
HETATM   53  H30 ORG A   1       5.226   8.273  -1.006
HETATM   54  H31 ORG A   1       5.102  10.015  -0.682
HETATM   55  C23 ORG A   1       5.763   8.850   1.002
HETATM   56  H32 ORG A   1       5.595   7.853   1.412
HETATM   57  C24 ORG A   1       7.264   9.017   0.711
HETATM   58  H33 ORG A   1       5.462   9.597   1.741
HETATM   59  H34 ORG A   1       7.575   8.250  -0.005
HETATM   60  H35 ORG A   1       7.421  10.002   0.256
HETATM   61  C25 ORG A   1       8.150   8.910   1.973
HETATM   62  H36 ORG A   1       3.097  10.986   0.385
HETATM   63  H37 ORG A   1       1.760   9.958   0.945
HETATM   64  H38 ORG A   1       3.300   9.981   1.838
HETATM   65  C26 ORG A   1       8.067   7.520   2.633
HETATM   66  C27 ORG A   1       9.614   9.255   1.632
HETATM   67  H39 ORG A   1       7.800   9.647   2.699
HETATM   68  H40 ORG A   1      10.002   8.534   0.909
HETATM   69  H41 ORG A   1       9.672  10.262   1.206
HETATM   70  H42 ORG A   1      10.223   9.216   2.540
HETATM   71  H43 ORG A   1       7.042   7.318   2.962
HETATM   72  H44 ORG A   1       8.374   6.754   1.918
HETATM   73  H45 ORG A   1       8.730   7.486   3.502
CONECT    1    2    3    9   49
CONECT    2    1
CONECT    3    1    4   18
CONECT    4    3    5   11   42
CONECT    5    4    6    7   41
CONECT    6    5
CONECT    7    5    8    9   40
CONECT    8    7
CONECT    9    1    7   10
CONECT   10    9   50
CONECT   11    4   12   13   20
CONECT   12   11
CONECT   13   11   14   15   27
CONECT   14   13
CONECT   15   13   16   17   18
CONECT   16   15
CONECT   17   15
CONECT   18    3   15   19
CONECT   19   18
CONECT   20   11   21   22   23
CONECT   21   20
CONECT   22   20
CONECT   23   20   24   25   26
CONECT   24   23
CONECT   25   23
CONECT   26   23   27   35   39
CONECT   27   13   26   28   29
CONECT   28   27
CONECT   29   30   31   32   27
CONECT   30   29
CONECT   31   29
CONECT   32   29   33   34   35
CONECT   33   32
CONECT   34   32
CONECT   35   26   32   36   37
CONECT   36   35
CONECT   37   35   38   51   52
CONECT   38   37   53   54   55
CONECT   39   26   46   47   48
CONECT   40    7
CONECT   41    5
CONECT   42    4   43   44   45
CONECT   43   42
CONECT   44   42
CONECT   45   42
CONECT   46   39
CONECT   47   39
CONECT   48   39
CONECT   49    1
CONECT   50   10
CONECT   51   37
CONECT   52   37   62   63   64
CONECT   53   38
CONECT   54   38
CONECT   55   38   56   57   58
CONECT   56   55
CONECT   57   55   59   60   61
CONECT   58   55
CONECT   59   57
CONECT   60   57
CONECT   61   57   65   66   67
CONECT   62   52
CONECT   63   52
CONECT   64   52
CONECT   65   61   71   72   73
CONECT   66   61   68   69   70
CONECT   67   61
CONECT   68   66
CONECT   69   66
CONECT   70   66
CONECT   71   65
CONECT   72   65
CONECT   73   65
END  
