HEADER
HETATM    1  C1  ORG A   1       3.281   1.363   0.116
HETATM    2  H1  ORG A   1       3.115   2.447   0.207
HETATM    3  C2  ORG A   1       1.946   0.590   0.062
HETATM    4  C3  ORG A   1       3.939   0.999  -1.221
HETATM    5  O1  ORG A   1       4.090   0.911   1.183
HETATM    6  C4  ORG A   1       3.674  -0.511  -1.310
HETATM    7  H2  ORG A   1       3.436   1.525  -2.049
HETATM    8  H3  ORG A   1       5.009   1.223  -1.229
HETATM    9  C5  ORG A   1       2.265  -0.716  -0.707
HETATM   10  H4  ORG A   1       3.741  -0.868  -2.341
HETATM   11  O2  ORG A   1       4.626  -1.203  -0.532
HETATM   12  C6  ORG A   1       1.268  -1.129  -1.773
HETATM   13  H5  ORG A   1       2.336  -1.540   0.014
HETATM   14  H6  ORG A   1       1.248   1.201  -0.533
HETATM   15  C7  ORG A   1       1.341   0.376   1.458
HETATM   16  H7  ORG A   1       4.679   1.646   1.395
HETATM   17  H8  ORG A   1       4.666  -0.706   0.284
HETATM   18  C8  ORG A   1       0.022  -0.361   1.441
HETATM   19  H9  ORG A   1       2.055  -0.183   2.068
HETATM   20  H10 ORG A   1       1.190   1.361   1.921
HETATM   21  H11 ORG A   1      -0.281  -0.855   0.531
HETATM   22  C9  ORG A   1      -0.776  -0.468   2.519
HETATM   23  H12 ORG A   1      -1.695  -1.029   2.428
HETATM   24  C10 ORG A   1      -0.452   0.158   3.855
HETATM   25  C11 ORG A   1      -1.544  -0.111   4.896
HETATM   26  H13 ORG A   1       0.495  -0.249   4.222
HETATM   27  H14 ORG A   1      -0.349   1.241   3.728
HETATM   28  H15 ORG A   1       1.492  -2.033  -2.328
HETATM   29  C12 ORG A   1       0.133  -0.469  -2.068
HETATM   30  C13 ORG A   1      -0.823  -0.955  -3.135
HETATM   31  H16 ORG A   1      -0.135   0.428  -1.530
HETATM   32  C14 ORG A   1      -0.985   0.099  -4.239
HETATM   33  H17 ORG A   1      -0.426  -1.874  -3.588
HETATM   34  O3  ORG A   1      -2.078  -1.259  -2.568
HETATM   35  H18 ORG A   1      -1.646  -1.187   5.036
HETATM   36  C15 ORG A   1      -1.231   0.529   6.252
HETATM   37  H19 ORG A   1      -2.491   0.291   4.529
HETATM   38  C16 ORG A   1      -2.320   0.244   7.259
HETATM   39  H20 ORG A   1      -0.283   0.126   6.628
HETATM   40  H21 ORG A   1      -1.129   1.613   6.123
HETATM   41  O4  ORG A   1      -2.960   1.172   7.788
HETATM   42  O5  ORG A   1      -2.618  -1.065   7.605
HETATM   43  H22 ORG A   1      -3.328  -0.970   8.250
HETATM   44  H23 ORG A   1      -0.001   0.339  -4.668
HETATM   45  C17 ORG A   1      -1.918  -0.383  -5.354
HETATM   46  H24 ORG A   1      -1.408   1.004  -3.795
HETATM   47  C18 ORG A   1      -2.168   0.693  -6.416
HETATM   48  H25 ORG A   1      -1.479  -1.263  -5.834
HETATM   49  H26 ORG A   1      -2.866  -0.663  -4.903
HETATM   50  H27 ORG A   1      -1.217   0.972  -6.872
HETATM   51  C19 ORG A   1      -3.119   0.214  -7.517
HETATM   52  H28 ORG A   1      -2.604   1.571  -5.937
HETATM   53  C20 ORG A   1      -3.373   1.291  -8.572
HETATM   54  H29 ORG A   1      -2.686  -0.656  -8.009
HETATM   55  H30 ORG A   1      -4.073  -0.061  -7.070
HETATM   56  H31 ORG A   1      -2.430   1.571  -9.039
HETATM   57  H32 ORG A   1      -4.053   0.904  -9.331
HETATM   58  H33 ORG A   1      -3.818   2.164  -8.098
HETATM   59  H34 ORG A   1      -1.901  -1.895  -1.863
CONECT    1    2    3    4    5
CONECT    2    1
CONECT    3    1   14   15    9
CONECT    4    1    6    7    8
CONECT    5    1   16
CONECT    6    4    9   10   11
CONECT    7    4
CONECT    8    4
CONECT    9    6   12   13    3
CONECT   10    6
CONECT   11    6   17
CONECT   12    9   28   29
CONECT   13    9
CONECT   14    3
CONECT   15    3   18   19   20
CONECT   16    5
CONECT   17   11
CONECT   18   15   21   22
CONECT   19   15
CONECT   20   15
CONECT   21   18
CONECT   22   18   23   24
CONECT   23   22
CONECT   24   22   25   26   27
CONECT   25   24   35   36   37
CONECT   26   24
CONECT   27   24
CONECT   28   12
CONECT   29   12   30   31
CONECT   30   29   32   33   34
CONECT   31   29
CONECT   32   30   44   45   46
CONECT   33   30
CONECT   34   30   59
CONECT   35   25
CONECT   36   25   38   39   40
CONECT   37   25
CONECT   38   36   41   42
CONECT   39   36
CONECT   40   36
CONECT   41   38
CONECT   42   38   43
CONECT   43   42
CONECT   44   32
CONECT   45   32   47   48   49
CONECT   46   32
CONECT   47   45   50   51   52
CONECT   48   45
CONECT   49   45
CONECT   50   47
CONECT   51   47   53   54   55
CONECT   52   47
CONECT   53   51   56   57   58
CONECT   54   51
CONECT   55   51
CONECT   56   53
CONECT   57   53
CONECT   58   53
CONECT   59   34
END  
