COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.395 -12.030  -3.795  1.00  0.00           C  
HETATM    2  N   UNL     1       6.351  -6.731   0.112  1.00  0.00           N  
HETATM    3  O   UNL     1       4.326  -7.260  -0.622  1.00  0.00           O  
HETATM    4  C   UNL     1       4.282 -11.471  -3.268  1.00  0.00           C  
HETATM    5  N   UNL     1       6.606  -0.607   2.500  1.00  0.00           N  
HETATM    6  O   UNL     1       5.240   0.353   3.961  1.00  0.00           O  
HETATM    7  C   UNL     1       5.395 -10.770  -2.607  1.00  0.00           C  
HETATM    8  N   UNL     1       4.153   2.148   2.387  1.00  0.00           N  
HETATM    9  O   UNL     1       3.520   6.201  -2.872  1.00  0.00           O  
HETATM   10  C   UNL     1       4.868  -9.508  -1.922  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.724   2.834  -0.559  1.00  0.00           N  
HETATM   12  O   UNL     1       3.193   2.509   0.420  1.00  0.00           O  
HETATM   13  C   UNL     1       6.025  -8.779  -1.235  1.00  0.00           C  
HETATM   14  N   UNL     1      -6.008  -0.038  -0.170  1.00  0.00           N  
HETATM   15  O   UNL     1       1.297   4.111   1.215  1.00  0.00           O  
HETATM   16  C   UNL     1       5.505  -7.536  -0.560  1.00  0.00           C  
HETATM   17  N   UNL     1      -9.081  -0.296  -1.761  1.00  0.00           N  
HETATM   18  O   UNL     1      -1.296   4.309  -0.008  1.00  0.00           O  
HETATM   19  C   UNL     1       5.846  -5.522   0.769  1.00  0.00           C  
HETATM   20  N   UNL     1       8.834  -1.564   5.282  1.00  0.00           N  
HETATM   21  O   UNL     1      -4.343   1.124  -1.829  1.00  0.00           O  
HETATM   22  C   UNL     1       7.003  -4.793   1.455  1.00  0.00           C  
HETATM   23  O   UNL     1      -7.717   0.264   1.212  1.00  0.00           O  
HETATM   24  C   UNL     1       6.476  -3.531   2.141  1.00  0.00           C  
HETATM   25  O   UNL     1      -9.042  -1.910   0.643  1.00  0.00           O  
HETATM   26  C   UNL     1       7.633  -2.802   2.827  1.00  0.00           C  
HETATM   27  O   UNL     1       8.562   0.244   4.025  1.00  0.00           O  
HETATM   28  C   UNL     1       7.105  -1.540   3.513  1.00  0.00           C  
HETATM   29  C   UNL     1       5.669   0.305   2.828  1.00  0.00           C  
HETATM   30  C   UNL     1       5.156   1.265   1.786  1.00  0.00           C  
HETATM   31  C   UNL     1       6.317   2.104   1.249  1.00  0.00           C  
HETATM   32  C   UNL     1       5.827   2.977   0.122  1.00  0.00           C  
HETATM   33  C   UNL     1       5.340   4.244   0.394  1.00  0.00           C  
HETATM   34  C   UNL     1       4.891   5.048  -0.632  1.00  0.00           C  
HETATM   35  C   UNL     1       4.928   4.582  -1.949  1.00  0.00           C  
HETATM   36  C   UNL     1       4.448   5.438  -3.053  1.00  0.00           C  
HETATM   37  C   UNL     1       5.098   5.366  -4.378  1.00  0.00           C  
HETATM   38  C   UNL     1       4.552   6.054  -5.465  1.00  0.00           C  
HETATM   39  C   UNL     1       5.163   5.982  -6.699  1.00  0.00           C  
HETATM   40  C   UNL     1       6.315   5.232  -6.862  1.00  0.00           C  
HETATM   41  C   UNL     1       6.861   4.549  -5.790  1.00  0.00           C  
HETATM   42  C   UNL     1       6.264   4.616  -4.549  1.00  0.00           C  
HETATM   43  C   UNL     1       5.421   3.302  -2.216  1.00  0.00           C  
HETATM   44  C   UNL     1       5.872   2.511  -1.180  1.00  0.00           C  
HETATM   45  C   UNL     1       3.210   2.722   1.613  1.00  0.00           C  
HETATM   46  C   UNL     1       2.178   3.630   2.232  1.00  0.00           C  
HETATM   47  C   UNL     1       0.275   4.986   1.699  1.00  0.00           C  
HETATM   48  C   UNL     1      -0.604   5.437   0.531  1.00  0.00           C  
HETATM   49  C   UNL     1      -2.149   4.623  -1.110  1.00  0.00           C  
HETATM   50  C   UNL     1      -2.835   3.347  -1.604  1.00  0.00           C  
HETATM   51  C   UNL     1      -4.437   1.711  -0.772  1.00  0.00           C  
HETATM   52  C   UNL     1      -5.352   1.183   0.303  1.00  0.00           C  
HETATM   53  C   UNL     1      -4.536   0.870   1.559  1.00  0.00           C  
HETATM   54  C   UNL     1      -5.464   0.460   2.672  1.00  0.00           C  
HETATM   55  C   UNL     1      -5.794  -0.884   2.831  1.00  0.00           C  
HETATM   56  C   UNL     1      -6.630  -1.289   3.826  1.00  0.00           C  
HETATM   57  C   UNL     1      -7.170  -0.338   4.709  1.00  0.00           C  
HETATM   58  C   UNL     1      -8.036  -0.717   5.749  1.00  0.00           C  
HETATM   59  C   UNL     1      -8.540   0.231   6.585  1.00  0.00           C  
HETATM   60  C   UNL     1      -8.210   1.576   6.426  1.00  0.00           C  
HETATM   61  C   UNL     1      -7.375   1.980   5.431  1.00  0.00           C  
HETATM   62  C   UNL     1      -6.834   1.029   4.548  1.00  0.00           C  
HETATM   63  C   UNL     1      -5.964   1.408   3.512  1.00  0.00           C  
HETATM   64  C   UNL     1      -7.194  -0.411   0.351  1.00  0.00           C  
HETATM   65  C   UNL     1      -7.869  -1.668  -0.135  1.00  0.00           C  
HETATM   66  C   UNL     1      -8.257  -1.502  -1.606  1.00  0.00           C  
HETATM   67  C   UNL     1      -9.051  -2.726  -2.065  1.00  0.00           C  
HETATM   68  C   UNL     1      -9.328  -2.620  -3.542  1.00  0.00           C  
HETATM   69  C   UNL     1      -8.432  -3.148  -4.453  1.00  0.00           C  
HETATM   70  C   UNL     1      -8.686  -3.051  -5.808  1.00  0.00           C  
HETATM   71  C   UNL     1      -9.835  -2.426  -6.253  1.00  0.00           C  
HETATM   72  C   UNL     1     -10.732  -1.899  -5.343  1.00  0.00           C  
HETATM   73  C   UNL     1     -10.481  -2.000  -3.987  1.00  0.00           C  
HETATM   74  C   UNL     1       8.219  -0.888   4.291  1.00  0.00           C  
HETATM   75  H   UNL     1       2.601 -12.530  -4.266  1.00  0.00           H  
HETATM   76  H   UNL     1       7.294  -6.953   0.165  1.00  0.00           H  
HETATM   77  H   UNL     1       6.950  -0.645   1.594  1.00  0.00           H  
HETATM   78  H   UNL     1       5.847 -11.426  -1.863  1.00  0.00           H  
HETATM   79  H   UNL     1       6.143 -10.494  -3.351  1.00  0.00           H  
HETATM   80  H   UNL     1       4.167   2.318   3.342  1.00  0.00           H  
HETATM   81  H   UNL     1       4.416  -8.852  -2.666  1.00  0.00           H  
HETATM   82  H   UNL     1       4.120  -9.783  -1.179  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.800   3.303   0.287  1.00  0.00           H  
HETATM   84  H   UNL     1       6.477  -9.435  -0.491  1.00  0.00           H  
HETATM   85  H   UNL     1       6.773  -8.503  -1.979  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.589  -0.579  -0.858  1.00  0.00           H  
HETATM   87  H   UNL     1      -9.297  -0.128  -2.733  1.00  0.00           H  
HETATM   88  H   UNL     1      -9.924  -0.361  -1.210  1.00  0.00           H  
HETATM   89  H   UNL     1       5.394  -4.866   0.024  1.00  0.00           H  
HETATM   90  H   UNL     1       5.098  -5.798   1.512  1.00  0.00           H  
HETATM   91  H   UNL     1       9.551  -1.145   5.782  1.00  0.00           H  
HETATM   92  H   UNL     1       8.560  -2.470   5.494  1.00  0.00           H  
HETATM   93  H   UNL     1       7.455  -5.449   2.200  1.00  0.00           H  
HETATM   94  H   UNL     1       7.751  -4.518   0.712  1.00  0.00           H  
HETATM   95  H   UNL     1       6.024  -2.875   1.396  1.00  0.00           H  
HETATM   96  H   UNL     1       5.728  -3.807   2.884  1.00  0.00           H  
HETATM   97  H   UNL     1      -9.697  -1.199   0.599  1.00  0.00           H  
HETATM   98  H   UNL     1       8.085  -3.458   3.572  1.00  0.00           H  
HETATM   99  H   UNL     1       8.381  -2.527   2.084  1.00  0.00           H  
HETATM  100  H   UNL     1       6.295  -1.807   4.192  1.00  0.00           H  
HETATM  101  H   UNL     1       4.703   0.705   0.967  1.00  0.00           H  
HETATM  102  H   UNL     1       6.713   2.731   2.048  1.00  0.00           H  
HETATM  103  H   UNL     1       7.103   1.444   0.882  1.00  0.00           H  
HETATM  104  H   UNL     1       5.311   4.603   1.412  1.00  0.00           H  
HETATM  105  H   UNL     1       4.510   6.036  -0.419  1.00  0.00           H  
HETATM  106  H   UNL     1       3.653   6.639  -5.339  1.00  0.00           H  
HETATM  107  H   UNL     1       4.742   6.513  -7.541  1.00  0.00           H  
HETATM  108  H   UNL     1       6.790   5.180  -7.831  1.00  0.00           H  
HETATM  109  H   UNL     1       7.760   3.966  -5.924  1.00  0.00           H  
HETATM  110  H   UNL     1       6.694   4.086  -3.712  1.00  0.00           H  
HETATM  111  H   UNL     1       5.452   2.935  -3.231  1.00  0.00           H  
HETATM  112  H   UNL     1       6.257   1.523  -1.385  1.00  0.00           H  
HETATM  113  H   UNL     1       2.676   4.473   2.711  1.00  0.00           H  
HETATM  114  H   UNL     1       1.606   3.076   2.976  1.00  0.00           H  
HETATM  115  H   UNL     1      -0.336   4.460   2.432  1.00  0.00           H  
HETATM  116  H   UNL     1       0.734   5.857   2.166  1.00  0.00           H  
HETATM  117  H   UNL     1       0.020   5.884  -0.243  1.00  0.00           H  
HETATM  118  H   UNL     1      -1.328   6.172   0.883  1.00  0.00           H  
HETATM  119  H   UNL     1      -2.905   5.341  -0.792  1.00  0.00           H  
HETATM  120  H   UNL     1      -1.557   5.053  -1.918  1.00  0.00           H  
HETATM  121  H   UNL     1      -2.080   2.597  -1.839  1.00  0.00           H  
HETATM  122  H   UNL     1      -3.416   3.570  -2.499  1.00  0.00           H  
HETATM  123  H   UNL     1      -6.107   1.934   0.538  1.00  0.00           H  
HETATM  124  H   UNL     1      -3.841   0.058   1.347  1.00  0.00           H  
HETATM  125  H   UNL     1      -3.977   1.757   1.859  1.00  0.00           H  
HETATM  126  H   UNL     1      -5.381  -1.617   2.153  1.00  0.00           H  
HETATM  127  H   UNL     1      -6.877  -2.334   3.936  1.00  0.00           H  
HETATM  128  H   UNL     1      -8.301  -1.756   5.884  1.00  0.00           H  
HETATM  129  H   UNL     1      -9.205  -0.063   7.384  1.00  0.00           H  
HETATM  130  H   UNL     1      -8.624   2.308   7.104  1.00  0.00           H  
HETATM  131  H   UNL     1      -7.129   3.026   5.320  1.00  0.00           H  
HETATM  132  H   UNL     1      -5.696   2.446   3.380  1.00  0.00           H  
HETATM  133  H   UNL     1      -7.185  -2.510  -0.033  1.00  0.00           H  
HETATM  134  H   UNL     1      -7.355  -1.406  -2.211  1.00  0.00           H  
HETATM  135  H   UNL     1      -8.474  -3.629  -1.867  1.00  0.00           H  
HETATM  136  H   UNL     1      -9.995  -2.772  -1.521  1.00  0.00           H  
HETATM  137  H   UNL     1      -7.533  -3.636  -4.105  1.00  0.00           H  
HETATM  138  H   UNL     1      -7.985  -3.463  -6.520  1.00  0.00           H  
HETATM  139  H   UNL     1     -10.033  -2.350  -7.312  1.00  0.00           H  
HETATM  140  H   UNL     1     -11.630  -1.410  -5.690  1.00  0.00           H  
HETATM  141  H   UNL     1     -11.183  -1.591  -3.276  1.00  0.00           H  
CONECT    1    4    4    4   75                                       
CONECT    2   16   19   76                                            
CONECT    3   16   16                                                 
CONECT    4    1    1    1    7                                       
CONECT    5   28   29   77                                            
CONECT    6   29   29                                                 
CONECT    7    4   10   78   79                                       
CONECT    8   30   45   80                                            
CONECT    9   36   36                                                 
CONECT   10    7   13   81   82                                       
CONECT   11   50   51   83                                            
CONECT   12   45   45                                                 
CONECT   13   10   16   84   85                                       
CONECT   14   52   64   86                                            
CONECT   15   46   47                                                 
CONECT   16    2    3    3   13                                       
CONECT   17   66   87   88                                            
CONECT   18   48   49                                                 
CONECT   19    2   22   89   90                                       
CONECT   20   74   91   92                                            
CONECT   21   51   51                                                 
CONECT   22   19   24   93   94                                       
CONECT   23   64   64                                                 
CONECT   24   22   26   95   96                                       
CONECT   25   65   97                                                 
CONECT   26   24   28   98   99                                       
CONECT   27   74   74                                                 
CONECT   28    5   26   74  100                                       
CONECT   29    5    6    6   30                                       
CONECT   30    8   29   31  101                                       
CONECT   31   30   32  102  103                                       
CONECT   32   31   33   33   44                                       
CONECT   33   32   32   34  104                                       
CONECT   34   33   35   35  105                                       
CONECT   35   34   34   36   43                                       
CONECT   36    9    9   35   37                                       
CONECT   37   36   38   38   42                                       
CONECT   38   37   37   39  106                                       
CONECT   39   38   40   40  107                                       
CONECT   40   39   39   41  108                                       
CONECT   41   40   42   42  109                                       
CONECT   42   37   41   41  110                                       
CONECT   43   35   44   44  111                                       
CONECT   44   32   43   43  112                                       
CONECT   45    8   12   12   46                                       
CONECT   46   15   45  113  114                                       
CONECT   47   15   48  115  116                                       
CONECT   48   18   47  117  118                                       
CONECT   49   18   50  119  120                                       
CONECT   50   11   49  121  122                                       
CONECT   51   11   21   21   52                                       
CONECT   52   14   51   53  123                                       
CONECT   53   52   54  124  125                                       
CONECT   54   53   55   55   63                                       
CONECT   55   54   54   56  126                                       
CONECT   56   55   57   57  127                                       
CONECT   57   56   56   58   62                                       
CONECT   58   57   59   59  128                                       
CONECT   59   58   58   60  129                                       
CONECT   60   59   61   61  130                                       
CONECT   61   60   60   62  131                                       
CONECT   62   57   61   63   63                                       
CONECT   63   54   62   62  132                                       
CONECT   64   14   23   23   65                                       
CONECT   65   25   64   66  133                                       
CONECT   66   17   65   67  134                                       
CONECT   67   66   68  135  136                                       
CONECT   68   67   69   69   73                                       
CONECT   69   68   68   70  137                                       
CONECT   70   69   71   71  138                                       
CONECT   71   70   70   72  139                                       
CONECT   72   71   73   73  140                                       
CONECT   73   68   72   72  141                                       
CONECT   74   20   27   27   28                                       
CONECT   75    1                                                      
CONECT   76    2                                                      
CONECT   77    5                                                      
CONECT   78    7                                                      
CONECT   79    7                                                      
CONECT   80    8                                                      
CONECT   81   10                                                      
CONECT   82   10                                                      
CONECT   83   11                                                      
CONECT   84   13                                                      
CONECT   85   13                                                      
CONECT   86   14                                                      
CONECT   87   17                                                      
CONECT   88   17                                                      
CONECT   89   19                                                      
CONECT   90   19                                                      
CONECT   91   20                                                      
CONECT   92   20                                                      
CONECT   93   22                                                      
CONECT   94   22                                                      
CONECT   95   24                                                      
CONECT   96   24                                                      
CONECT   97   25                                                      
CONECT   98   26                                                      
CONECT   99   26                                                      
CONECT  100   28                                                      
CONECT  101   30                                                      
CONECT  102   31                                                      
CONECT  103   31                                                      
CONECT  104   33                                                      
CONECT  105   34                                                      
CONECT  106   38                                                      
CONECT  107   39                                                      
CONECT  108   40                                                      
CONECT  109   41                                                      
CONECT  110   42                                                      
CONECT  111   43                                                      
CONECT  112   44                                                      
CONECT  113   46                                                      
CONECT  114   46                                                      
CONECT  115   47                                                      
CONECT  116   47                                                      
CONECT  117   48                                                      
CONECT  118   48                                                      
CONECT  119   49                                                      
CONECT  120   49                                                      
CONECT  121   50                                                      
CONECT  122   50                                                      
CONECT  123   52                                                      
CONECT  124   53                                                      
CONECT  125   53                                                      
CONECT  126   55                                                      
CONECT  127   56                                                      
CONECT  128   58                                                      
CONECT  129   59                                                      
CONECT  130   60                                                      
CONECT  131   61                                                      
CONECT  132   63                                                      
CONECT  133   65                                                      
CONECT  134   66                                                      
CONECT  135   67                                                      
CONECT  136   67                                                      
CONECT  137   69                                                      
CONECT  138   70                                                      
CONECT  139   71                                                      
CONECT  140   72                                                      
CONECT  141   73                                                      
MASTER        0    0    0    0    0    0    0    0  141    0  141    0
END
