COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.006  -3.274  -0.986  1.00  0.00           C  
HETATM    2  C   UNL     1       0.580  -3.329  -0.441  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.269  -2.115  -0.840  1.00  0.00           C  
HETATM    4  C   UNL     1       0.694  -3.285   1.124  1.00  0.00           C  
HETATM    5  O   UNL     1      -0.043  -4.449  -0.910  1.00  0.00           O  
HETATM    6  N   UNL     1      -1.524  -2.861  -1.308  1.00  0.00           N  
HETATM    7  C   UNL     1       0.252  -1.219  -1.957  1.00  0.00           C  
HETATM    8  C   UNL     1       1.056  -4.699   1.550  1.00  0.00           C  
HETATM    9  O   UNL     1       1.690  -2.363   1.515  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.263  -4.158  -1.426  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.792  -2.243  -1.584  1.00  0.00           C  
HETATM   12  C   UNL     1       0.062  -1.764  -3.338  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.327   0.192  -1.854  1.00  0.00           C  
HETATM   14  C   UNL     1       1.067  -4.784   3.077  1.00  0.00           C  
HETATM   15  C   UNL     1       1.513  -1.691   2.633  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.984  -4.931  -1.851  1.00  0.00           O  
HETATM   17  C   UNL     1      -3.640  -2.229  -0.310  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.449   0.276  -1.401  1.00  0.00           O  
HETATM   19  C   UNL     1       0.489   1.362  -2.142  1.00  0.00           C  
HETATM   20  O   UNL     1       0.634  -2.016   3.467  1.00  0.00           O  
HETATM   21  C   UNL     1       2.412  -0.482   2.978  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.990  -1.571  -0.604  1.00  0.00           C  
HETATM   23  C   UNL     1       0.795   1.488  -3.583  1.00  0.00           C  
HETATM   24  C   UNL     1       1.855   1.400  -1.295  1.00  0.00           C  
HETATM   25  C   UNL     1       2.192  -0.116   4.405  1.00  0.00           C  
HETATM   26  C   UNL     1       1.978   0.619   2.031  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.838  -1.557   0.669  1.00  0.00           C  
HETATM   28  C   UNL     1       1.925   2.522  -0.339  1.00  0.00           C  
HETATM   29  O   UNL     1       0.928   0.470   1.401  1.00  0.00           O  
HETATM   30  C   UNL     1       2.787   1.955   1.993  1.00  0.00           C  
HETATM   31  N   UNL     1      -7.131  -0.927   0.388  1.00  0.00           N  
HETATM   32  O   UNL     1       0.627   2.677   0.332  1.00  0.00           O  
HETATM   33  C   UNL     1       2.109   3.817  -1.171  1.00  0.00           C  
HETATM   34  C   UNL     1       3.139   2.352   0.618  1.00  0.00           C  
HETATM   35  C   UNL     1       2.039   3.068   2.739  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.422   0.405   0.497  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.251  -1.553  -0.033  1.00  0.00           C  
HETATM   38  C   UNL     1       0.299   4.028   0.661  1.00  0.00           C  
HETATM   39  O   UNL     1       3.946   1.400  -0.012  1.00  0.00           O  
HETATM   40  C   UNL     1      -8.726   0.549   0.141  1.00  0.00           C  
HETATM   41  N   UNL     1      -9.201  -0.672  -0.177  1.00  0.00           N  
HETATM   42  C   UNL     1       5.341   1.549   0.259  1.00  0.00           C  
HETATM   43  C   UNL     1      -9.487   1.821   0.105  1.00  0.00           C  
HETATM   44  C   UNL     1       6.112   0.389  -0.375  1.00  0.00           C  
HETATM   45  O   UNL     1       5.804   2.784  -0.291  1.00  0.00           O  
HETATM   46  C   UNL     1     -10.830   1.834  -0.281  1.00  0.00           C  
HETATM   47  C   UNL     1      -8.877   3.022   0.462  1.00  0.00           C  
HETATM   48  O   UNL     1       5.692  -0.843   0.215  1.00  0.00           O  
HETATM   49  C   UNL     1       7.611   0.588  -0.131  1.00  0.00           C  
HETATM   50  C   UNL     1       7.188   3.047  -0.053  1.00  0.00           C  
HETATM   51  C   UNL     1     -11.497   3.048  -0.298  1.00  0.00           C  
HETATM   52  N   UNL     1      -9.552   4.153   0.431  1.00  0.00           N  
HETATM   53  N   UNL     1       8.364  -0.481  -0.801  1.00  0.00           N  
HETATM   54  C   UNL     1       8.033   1.946  -0.700  1.00  0.00           C  
HETATM   55  C   UNL     1       7.563   4.401  -0.659  1.00  0.00           C  
HETATM   56  C   UNL     1     -10.819   4.197   0.065  1.00  0.00           C  
HETATM   57  C   UNL     1       8.232  -0.382  -2.261  1.00  0.00           C  
HETATM   58  C   UNL     1       9.777  -0.462  -0.398  1.00  0.00           C  
HETATM   59  H   UNL     1       2.574  -4.123  -0.603  1.00  0.00           H  
HETATM   60  H   UNL     1       1.981  -3.315  -2.075  1.00  0.00           H  
HETATM   61  H   UNL     1       2.482  -2.346  -0.668  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.549  -1.496   0.047  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.306  -3.035   1.487  1.00  0.00           H  
HETATM   64  H   UNL     1       1.390  -1.039  -1.809  1.00  0.00           H  
HETATM   65  H   UNL     1       0.320  -5.397   1.152  1.00  0.00           H  
HETATM   66  H   UNL     1       2.043  -4.953   1.164  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.631  -1.220  -1.924  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.310  -2.806  -2.359  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.002  -1.914  -3.526  1.00  0.00           H  
HETATM   70  H   UNL     1       0.463  -1.059  -4.066  1.00  0.00           H  
HETATM   71  H   UNL     1       0.585  -2.716  -3.429  1.00  0.00           H  
HETATM   72  H   UNL     1       1.327  -5.798   3.383  1.00  0.00           H  
HETATM   73  H   UNL     1       1.803  -4.085   3.475  1.00  0.00           H  
HETATM   74  H   UNL     1       0.080  -4.530   3.463  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.801  -3.252   0.030  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.122  -1.665   0.465  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.107   2.291  -1.843  1.00  0.00           H  
HETATM   78  H   UNL     1       3.457  -0.770   2.719  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.829  -0.548  -0.945  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.508  -2.134  -1.380  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.134   1.577  -4.145  1.00  0.00           H  
HETATM   82  H   UNL     1       1.406   2.375  -3.748  1.00  0.00           H  
HETATM   83  H   UNL     1       1.339   0.605  -3.917  1.00  0.00           H  
HETATM   84  H   UNL     1       1.922   0.405  -0.762  1.00  0.00           H  
HETATM   85  H   UNL     1       2.675   1.416  -1.971  1.00  0.00           H  
HETATM   86  H   UNL     1       2.450  -0.963   5.041  1.00  0.00           H  
HETATM   87  H   UNL     1       2.821   0.736   4.662  1.00  0.00           H  
HETATM   88  H   UNL     1       1.145   0.146   4.556  1.00  0.00           H  
HETATM   89  H   UNL     1      -5.999  -2.580   1.009  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.320  -0.993   1.445  1.00  0.00           H  
HETATM   91  H   UNL     1       3.732   1.748   2.528  1.00  0.00           H  
HETATM   92  H   UNL     1       1.262   3.938  -1.846  1.00  0.00           H  
HETATM   93  H   UNL     1       2.165   4.674  -0.501  1.00  0.00           H  
HETATM   94  H   UNL     1       3.029   3.748  -1.752  1.00  0.00           H  
HETATM   95  H   UNL     1       3.586   3.368   0.611  1.00  0.00           H  
HETATM   96  H   UNL     1       1.894   2.775   3.779  1.00  0.00           H  
HETATM   97  H   UNL     1       2.622   3.988   2.699  1.00  0.00           H  
HETATM   98  H   UNL     1       1.069   3.232   2.269  1.00  0.00           H  
HETATM   99  H   UNL     1      -6.748   1.189   0.806  1.00  0.00           H  
HETATM  100  H   UNL     1      -8.345  -2.613  -0.219  1.00  0.00           H  
HETATM  101  H   UNL     1      -0.568   4.042   1.320  1.00  0.00           H  
HETATM  102  H   UNL     1       1.146   4.495   1.165  1.00  0.00           H  
HETATM  103  H   UNL     1       0.071   4.579  -0.252  1.00  0.00           H  
HETATM  104  H   UNL     1       5.504   1.548   1.337  1.00  0.00           H  
HETATM  105  H   UNL     1       5.917   0.365  -1.447  1.00  0.00           H  
HETATM  106  H   UNL     1     -11.335   0.922  -0.560  1.00  0.00           H  
HETATM  107  H   UNL     1      -7.841   3.026   0.767  1.00  0.00           H  
HETATM  108  H   UNL     1       4.750  -1.032   0.104  1.00  0.00           H  
HETATM  109  H   UNL     1       7.813   0.561   0.939  1.00  0.00           H  
HETATM  110  H   UNL     1       7.375   3.065   1.021  1.00  0.00           H  
HETATM  111  H   UNL     1     -12.535   3.096  -0.591  1.00  0.00           H  
HETATM  112  H   UNL     1       9.087   2.121  -0.482  1.00  0.00           H  
HETATM  113  H   UNL     1       7.878   1.954  -1.779  1.00  0.00           H  
HETATM  114  H   UNL     1       6.960   5.184  -0.199  1.00  0.00           H  
HETATM  115  H   UNL     1       8.618   4.601  -0.478  1.00  0.00           H  
HETATM  116  H   UNL     1       7.376   4.382  -1.733  1.00  0.00           H  
HETATM  117  H   UNL     1     -11.336   5.145   0.054  1.00  0.00           H  
HETATM  118  H   UNL     1       8.618   0.580  -2.596  1.00  0.00           H  
HETATM  119  H   UNL     1       8.799  -1.185  -2.732  1.00  0.00           H  
HETATM  120  H   UNL     1       7.181  -0.469  -2.537  1.00  0.00           H  
HETATM  121  H   UNL     1       9.849  -0.606   0.680  1.00  0.00           H  
HETATM  122  H   UNL     1      10.311  -1.263  -0.908  1.00  0.00           H  
HETATM  123  H   UNL     1      10.218   0.498  -0.666  1.00  0.00           H  
CONECT    1    2   59   60   61                                       
CONECT    2    3    5    1    4                                       
CONECT    3    7    6    2   62                                       
CONECT    4    2    8    9   63                                       
CONECT    5   10    2                                                 
CONECT    6   11   10    3                                            
CONECT    7   12   13    3   64                                       
CONECT    8    4   14   65   66                                       
CONECT    9    4   15                                                 
CONECT   10   16   16    6    5                                       
CONECT   11    6   17   67   68                                       
CONECT   12    7   69   70   71                                       
CONECT   13   18   18   19    7                                       
CONECT   14    8   72   73   74                                       
CONECT   15   20   20    9   21                                       
CONECT   16   10   10                                                 
CONECT   17   11   22   75   76                                       
CONECT   18   13   13                                                 
CONECT   19   13   23   24   77                                       
CONECT   20   15   15                                                 
CONECT   21   15   26   25   78                                       
CONECT   22   17   27   79   80                                       
CONECT   23   19   81   82   83                                       
CONECT   24   19   28   84   85                                       
CONECT   25   21   86   87   88                                       
CONECT   26   30   29   29   21                                       
CONECT   27   22   31   89   90                                       
CONECT   28   33   24   32   34                                       
CONECT   29   26   26                                                 
CONECT   30   34   26   35   91                                       
CONECT   31   27   36   37                                            
CONECT   32   38   28                                                 
CONECT   33   28   92   93   94                                       
CONECT   34   28   39   30   95                                       
CONECT   35   30   96   97   98                                       
CONECT   36   31   40   40   99                                       
CONECT   37   31   41   41  100                                       
CONECT   38   32  101  102  103                                       
CONECT   39   34   42                                                 
CONECT   40   36   36   43   41                                       
CONECT   41   40   37   37                                            
CONECT   42   45   39   44  104                                       
CONECT   43   47   40   46   46                                       
CONECT   44   42   49   48  105                                       
CONECT   45   50   42                                                 
CONECT   46   43   43   51  106                                       
CONECT   47   52   52   43  107                                       
CONECT   48   44  108                                                 
CONECT   49   54   44   53  109                                       
CONECT   50   55   45   54  110                                       
CONECT   51   56   56   46  111                                       
CONECT   52   47   47   56                                            
CONECT   53   57   49   58                                            
CONECT   54   50   49  112  113                                       
CONECT   55   50  114  115  116                                       
CONECT   56   52   51   51  117                                       
CONECT   57   53  118  119  120                                       
CONECT   58   53  121  122  123                                       
CONECT   59    1                                                      
CONECT   60    1                                                      
CONECT   61    1                                                      
CONECT   62    3                                                      
CONECT   63    4                                                      
CONECT   64    7                                                      
CONECT   65    8                                                      
CONECT   66    8                                                      
CONECT   67   11                                                      
CONECT   68   11                                                      
CONECT   69   12                                                      
CONECT   70   12                                                      
CONECT   71   12                                                      
CONECT   72   14                                                      
CONECT   73   14                                                      
CONECT   74   14                                                      
CONECT   75   17                                                      
CONECT   76   17                                                      
CONECT   77   19                                                      
CONECT   78   21                                                      
CONECT   79   22                                                      
CONECT   80   22                                                      
CONECT   81   23                                                      
CONECT   82   23                                                      
CONECT   83   23                                                      
CONECT   84   24                                                      
CONECT   85   24                                                      
CONECT   86   25                                                      
CONECT   87   25                                                      
CONECT   88   25                                                      
CONECT   89   27                                                      
CONECT   90   27                                                      
CONECT   91   30                                                      
CONECT   92   33                                                      
CONECT   93   33                                                      
CONECT   94   33                                                      
CONECT   95   34                                                      
CONECT   96   35                                                      
CONECT   97   35                                                      
CONECT   98   35                                                      
CONECT   99   36                                                      
CONECT  100   37                                                      
CONECT  101   38                                                      
CONECT  102   38                                                      
CONECT  103   38                                                      
CONECT  104   42                                                      
CONECT  105   44                                                      
CONECT  106   46                                                      
CONECT  107   47                                                      
CONECT  108   48                                                      
CONECT  109   49                                                      
CONECT  110   50                                                      
CONECT  111   51                                                      
CONECT  112   54                                                      
CONECT  113   54                                                      
CONECT  114   55                                                      
CONECT  115   55                                                      
CONECT  116   55                                                      
CONECT  117   56                                                      
CONECT  118   57                                                      
CONECT  119   57                                                      
CONECT  120   57                                                      
CONECT  121   58                                                      
CONECT  122   58                                                      
CONECT  123   58                                                      
MASTER        0    0    0    0    0    0    0    0  123    0  123    0
END
