HEADER
HETATM    1  C1  ORG A   1       0.904  -0.435  -1.192
HETATM    2  H1  ORG A   1       1.831  -0.152  -1.707
HETATM    3  C2  ORG A   1       0.726  -1.956  -1.298
HETATM    4  H2  ORG A   1       1.017  -0.191  -0.129
HETATM    5  C3  ORG A   1      -0.245   0.390  -1.750
HETATM    6  C4  ORG A   1      -0.214   1.794  -1.581
HETATM    7  C5  ORG A   1      -1.351  -0.196  -2.411
HETATM    8  H3  ORG A   1       0.626   2.259  -1.074
HETATM    9  C6  ORG A   1      -1.268   2.598  -2.056
HETATM   10  H4  ORG A   1      -1.397  -1.274  -2.550
HETATM   11  H5  ORG A   1      -1.236   3.671  -1.918
HETATM   12  C7  ORG A   1      -2.365   2.005  -2.708
HETATM   13  C8  ORG A   1      -2.409   0.608  -2.885
HETATM   14  O1  ORG A   1      -3.427   2.771  -3.175
HETATM   15  O2  ORG A   1      -3.530   0.072  -3.515
HETATM   16  H6  ORG A   1      -0.254  -2.239  -0.915
HETATM   17  H7  ORG A   1       0.813  -2.274  -2.343
HETATM   18  N1  ORG A   1       1.726  -2.627  -0.515
HETATM   19  H8  ORG A   1      -4.007   2.129  -3.595
HETATM   20  H9  ORG A   1      -3.388  -0.880  -3.575
HETATM   21  H10 ORG A   1       2.691  -2.511  -0.768
HETATM   22  C9  ORG A   1       1.389  -3.408   0.621
HETATM   23  C10 ORG A   1       2.501  -3.955   1.493
HETATM   24  O3  ORG A   1       0.200  -3.637   0.914
HETATM   25  H11 ORG A   1       2.415  -5.047   1.550
HETATM   26  H12 ORG A   1       3.476  -3.704   1.049
HETATM   27  C11 ORG A   1       2.439  -3.368   2.913
HETATM   28  H13 ORG A   1       2.459  -2.282   2.841
HETATM   29  H14 ORG A   1       1.504  -3.675   3.384
HETATM   30  C12 ORG A   1       3.620  -3.820   3.786
HETATM   31  H15 ORG A   1       3.569  -4.906   3.931
HETATM   32  H16 ORG A   1       4.551  -3.588   3.261
HETATM   33  C13 ORG A   1       3.608  -3.136   5.139
HETATM   34  H17 ORG A   1       2.854  -3.445   5.853
HETATM   35  C14 ORG A   1       4.481  -2.174   5.496
HETATM   36  C15 ORG A   1       5.569  -1.657   4.576
HETATM   37  H18 ORG A   1       4.422  -1.762   6.495
HETATM   38  C16 ORG A   1       6.133  -0.318   5.006
HETATM   39  H19 ORG A   1       6.388  -2.394   4.550
HETATM   40  H20 ORG A   1       5.167  -1.554   3.561
HETATM   41  H21 ORG A   1       7.186  -0.279   5.261
HETATM   42  C17 ORG A   1       5.418   0.824   5.079
HETATM   43  C18 ORG A   1       3.938   0.930   4.766
HETATM   44  H22 ORG A   1       5.928   1.729   5.387
HETATM   45  H23 ORG A   1       3.604   1.956   4.990
HETATM   46  C19 ORG A   1       3.605   0.617   3.321
HETATM   47  H24 ORG A   1       3.392   0.239   5.418
HETATM   48  H25 ORG A   1       4.423   0.508   2.621
HETATM   49  C20 ORG A   1       2.344   0.480   2.869
HETATM   50  H26 ORG A   1       2.195   0.241   1.822
HETATM   51  C21 ORG A   1       1.112   0.644   3.737
HETATM   52  H27 ORG A   1       0.423   1.353   3.256
HETATM   53  C22 ORG A   1       0.411  -0.677   3.983
HETATM   54  H28 ORG A   1       1.392   1.070   4.711
HETATM   55  C23 ORG A   1      -0.546  -1.195   3.189
HETATM   56  H29 ORG A   1       0.724  -1.250   4.848
HETATM   57  C24 ORG A   1      -1.057  -0.544   1.920
HETATM   58  H30 ORG A   1      -0.971  -2.152   3.458
HETATM   59  C25 ORG A   1      -2.554  -0.208   2.005
HETATM   60  H31 ORG A   1      -0.502   0.376   1.714
HETATM   61  H32 ORG A   1      -0.900  -1.239   1.095
HETATM   62  H33 ORG A   1      -2.712   0.495   2.824
HETATM   63  C26 ORG A   1      -3.077   0.413   0.699
HETATM   64  H34 ORG A   1      -3.112  -1.125   2.209
HETATM   65  C27 ORG A   1      -4.571   0.764   0.770
HETATM   66  H35 ORG A   1      -2.515   1.321   0.486
HETATM   67  H36 ORG A   1      -2.928  -0.296  -0.113
HETATM   68  H37 ORG A   1      -4.731   1.489   1.567
HETATM   69  C28 ORG A   1      -5.083   1.361  -0.545
HETATM   70  H38 ORG A   1      -5.139  -0.139   0.984
HETATM   71  H39 ORG A   1      -6.146   1.588  -0.453
HETATM   72  H40 ORG A   1      -4.535   2.271  -0.765
HETATM   73  H41 ORG A   1      -4.930   0.646  -1.346
CONECT    1    2    3    4    5
CONECT    2    1
CONECT    3    1   16   17   18
CONECT    4    1
CONECT    5    6    7    1
CONECT    6    5    8    9
CONECT    7    5   10   13
CONECT    8    6
CONECT    9    6   11   12
CONECT   10    7
CONECT   11    9
CONECT   12    9   13   14
CONECT   13   12   15    7
CONECT   14   12   19
CONECT   15   13   20
CONECT   16    3
CONECT   17    3
CONECT   18    3   21   22
CONECT   19   14
CONECT   20   15
CONECT   21   18
CONECT   22   18   23   24
CONECT   23   22   25   26   27
CONECT   24   22
CONECT   25   23
CONECT   26   23
CONECT   27   23   28   29   30
CONECT   28   27
CONECT   29   27
CONECT   30   27   31   32   33
CONECT   31   30
CONECT   32   30
CONECT   33   30   34   35
CONECT   34   33
CONECT   35   33   36   37
CONECT   36   35   38   39   40
CONECT   37   35
CONECT   38   36   41   42
CONECT   39   36
CONECT   40   36
CONECT   41   38
CONECT   42   38   43   44
CONECT   43   42   45   46   47
CONECT   44   42
CONECT   45   43
CONECT   46   43   48   49
CONECT   47   43
CONECT   48   46
CONECT   49   46   50   51
CONECT   50   49
CONECT   51   49   52   53   54
CONECT   52   51
CONECT   53   51   55   56
CONECT   54   51
CONECT   55   53   57   58
CONECT   56   53
CONECT   57   55   59   60   61
CONECT   58   55
CONECT   59   57   62   63   64
CONECT   60   57
CONECT   61   57
CONECT   62   59
CONECT   63   59   65   66   67
CONECT   64   59
CONECT   65   63   68   69   70
CONECT   66   63
CONECT   67   63
CONECT   68   65
CONECT   69   65   71   72   73
CONECT   70   65
CONECT   71   69
CONECT   72   69
CONECT   73   69
END  
