COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.724  -2.459   1.898  1.00  0.00           C  
HETATM    2  O   UNL     1      -3.374  -1.957   0.606  1.00  0.00           O  
HETATM    3  C   UNL     1      -3.036  -3.807   2.126  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.583  -3.646   1.989  1.00  0.00           N  
HETATM    5  C   UNL     1      -3.540  -4.812   1.084  1.00  0.00           C  
HETATM    6  O   UNL     1      -2.958  -6.093   1.335  1.00  0.00           O  
HETATM    7  C   UNL     1      -5.065  -4.913   1.185  1.00  0.00           C  
HETATM    8  O   UNL     1      -5.553  -5.792   0.169  1.00  0.00           O  
HETATM    9  C   UNL     1      -5.675  -3.522   0.993  1.00  0.00           C  
HETATM   10  O   UNL     1      -5.141  -2.630   1.974  1.00  0.00           O  
HETATM   11  C   UNL     1      -7.194  -3.604   1.151  1.00  0.00           C  
HETATM   12  O   UNL     1      -7.770  -2.319   0.905  1.00  0.00           O  
HETATM   13  C   UNL     1      -3.215   1.922  -1.079  1.00  0.00           C  
HETATM   14  N   UNL     1      -3.230   3.384  -1.175  1.00  0.00           N  
HETATM   15  C   UNL     1      -4.546   1.434  -0.505  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.531  -0.092  -0.405  1.00  0.00           C  
HETATM   17  N   UNL     1      -5.809  -0.560   0.147  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.388  -0.531   0.513  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.056  -0.044  -0.062  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.989  -0.455   0.796  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.072   1.482  -0.161  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.828   1.937  -0.698  1.00  0.00           O  
HETATM   23  C   UNL     1       0.248  -0.681   0.117  1.00  0.00           C  
HETATM   24  O   UNL     1       0.135  -1.816  -0.769  1.00  0.00           O  
HETATM   25  C   UNL     1       1.350  -1.075   1.124  1.00  0.00           C  
HETATM   26  O   UNL     1       2.155   0.059   1.454  1.00  0.00           O  
HETATM   27  C   UNL     1       2.188  -2.132   0.370  1.00  0.00           C  
HETATM   28  O   UNL     1       3.535  -1.684   0.212  1.00  0.00           O  
HETATM   29  C   UNL     1       1.492  -2.252  -1.003  1.00  0.00           C  
HETATM   30  C   UNL     1       1.509  -3.705  -1.484  1.00  0.00           C  
HETATM   31  O   UNL     1       0.840  -3.797  -2.743  1.00  0.00           O  
HETATM   32  C   UNL     1       4.486  -2.741   0.067  1.00  0.00           C  
HETATM   33  C   UNL     1       5.892  -2.204   0.347  1.00  0.00           C  
HETATM   34  N   UNL     1       6.185  -1.093  -0.567  1.00  0.00           N  
HETATM   35  C   UNL     1       6.911  -3.328   0.131  1.00  0.00           C  
HETATM   36  O   UNL     1       6.666  -4.381   1.065  1.00  0.00           O  
HETATM   37  C   UNL     1       6.767  -3.864  -1.297  1.00  0.00           C  
HETATM   38  O   UNL     1       7.076  -2.827  -2.230  1.00  0.00           O  
HETATM   39  C   UNL     1       5.327  -4.336  -1.514  1.00  0.00           C  
HETATM   40  O   UNL     1       4.430  -3.252  -1.266  1.00  0.00           O  
HETATM   41  C   UNL     1       5.161  -4.818  -2.956  1.00  0.00           C  
HETATM   42  N   UNL     1       3.822  -5.398  -3.127  1.00  0.00           N  
HETATM   43  C   UNL     1       1.698   0.784   2.598  1.00  0.00           C  
HETATM   44  C   UNL     1       2.630   1.969   2.856  1.00  0.00           C  
HETATM   45  N   UNL     1       2.541   2.915   1.736  1.00  0.00           N  
HETATM   46  C   UNL     1       3.425   4.069   1.950  1.00  0.00           C  
HETATM   47  C   UNL     1       3.305   5.030   0.765  1.00  0.00           C  
HETATM   48  C   UNL     1       4.212   6.214   0.985  1.00  0.00           C  
HETATM   49  C   UNL     1       3.740   7.331   1.648  1.00  0.00           C  
HETATM   50  C   UNL     1       4.571   8.417   1.849  1.00  0.00           C  
HETATM   51  C   UNL     1       5.874   8.385   1.388  1.00  0.00           C  
HETATM   52  C   UNL     1       6.346   7.267   0.726  1.00  0.00           C  
HETATM   53  C   UNL     1       5.516   6.180   0.528  1.00  0.00           C  
HETATM   54  C   UNL     1      -3.767   3.983  -2.256  1.00  0.00           C  
HETATM   55  O   UNL     1      -4.239   3.312  -3.149  1.00  0.00           O  
HETATM   56  C   UNL     1      -3.783   5.486  -2.354  1.00  0.00           C  
HETATM   57  O   UNL     1      -4.293   5.875  -3.631  1.00  0.00           O  
HETATM   58  C   UNL     1      -4.675   6.061  -1.252  1.00  0.00           C  
HETATM   59  C   UNL     1      -4.592   7.588  -1.273  1.00  0.00           C  
HETATM   60  N   UNL     1      -5.449   8.139  -0.214  1.00  0.00           N  
HETATM   61  H   UNL     1      -3.402  -1.752   2.662  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.271  -4.172   3.126  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.227  -2.984   2.663  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.111  -4.534   2.072  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.261  -4.473   0.087  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.234  -6.779   0.712  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.341  -5.300   2.165  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.514  -5.903   0.174  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.433  -3.153  -0.004  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.595  -4.325   0.438  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.437  -3.922   2.165  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.733  -2.297   0.988  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.069   1.494  -2.071  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.852   3.920  -0.460  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.692   1.862   0.487  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.360   1.748  -1.158  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.385  -0.520  -1.397  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.581  -0.271  -0.435  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.805  -1.561   0.271  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.534  -0.104   1.505  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.911  -0.472  -1.054  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.218   1.910   0.831  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.767   2.898  -0.789  1.00  0.00           H  
HETATM   84  H   UNL     1       0.541   0.208  -0.442  1.00  0.00           H  
HETATM   85  H   UNL     1       0.910  -1.504   2.024  1.00  0.00           H  
HETATM   86  H   UNL     1       2.161  -3.086   0.897  1.00  0.00           H  
HETATM   87  H   UNL     1       1.978  -1.604  -1.733  1.00  0.00           H  
HETATM   88  H   UNL     1       2.540  -4.038  -1.595  1.00  0.00           H  
HETATM   89  H   UNL     1       0.999  -4.335  -0.755  1.00  0.00           H  
HETATM   90  H   UNL     1       0.812  -4.692  -3.109  1.00  0.00           H  
HETATM   91  H   UNL     1       4.253  -3.538   0.772  1.00  0.00           H  
HETATM   92  H   UNL     1       5.949  -1.853   1.377  1.00  0.00           H  
HETATM   93  H   UNL     1       5.523  -0.341  -0.447  1.00  0.00           H  
HETATM   94  H   UNL     1       7.131  -0.764  -0.445  1.00  0.00           H  
HETATM   95  H   UNL     1       7.919  -2.938   0.275  1.00  0.00           H  
HETATM   96  H   UNL     1       7.276  -5.127   0.984  1.00  0.00           H  
HETATM   97  H   UNL     1       7.451  -4.701  -1.441  1.00  0.00           H  
HETATM   98  H   UNL     1       7.973  -2.476  -2.146  1.00  0.00           H  
HETATM   99  H   UNL     1       5.106  -5.155  -0.829  1.00  0.00           H  
HETATM  100  H   UNL     1       5.281  -3.976  -3.637  1.00  0.00           H  
HETATM  101  H   UNL     1       5.914  -5.574  -3.176  1.00  0.00           H  
HETATM  102  H   UNL     1       3.110  -4.683  -3.085  1.00  0.00           H  
HETATM  103  H   UNL     1       3.760  -5.918  -3.989  1.00  0.00           H  
HETATM  104  H   UNL     1       0.687   1.149   2.416  1.00  0.00           H  
HETATM  105  H   UNL     1       1.696   0.127   3.467  1.00  0.00           H  
HETATM  106  H   UNL     1       2.334   2.470   3.778  1.00  0.00           H  
HETATM  107  H   UNL     1       3.655   1.612   2.950  1.00  0.00           H  
HETATM  108  H   UNL     1       1.588   3.212   1.587  1.00  0.00           H  
HETATM  109  H   UNL     1       3.134   4.584   2.866  1.00  0.00           H  
HETATM  110  H   UNL     1       4.456   3.726   2.037  1.00  0.00           H  
HETATM  111  H   UNL     1       3.596   4.515  -0.151  1.00  0.00           H  
HETATM  112  H   UNL     1       2.274   5.373   0.678  1.00  0.00           H  
HETATM  113  H   UNL     1       2.722   7.356   2.008  1.00  0.00           H  
HETATM  114  H   UNL     1       4.203   9.291   2.366  1.00  0.00           H  
HETATM  115  H   UNL     1       6.523   9.234   1.545  1.00  0.00           H  
HETATM  116  H   UNL     1       7.364   7.242   0.366  1.00  0.00           H  
HETATM  117  H   UNL     1       5.885   5.305   0.014  1.00  0.00           H  
HETATM  118  H   UNL     1      -2.768   5.869  -2.237  1.00  0.00           H  
HETATM  119  H   UNL     1      -5.194   5.569  -3.804  1.00  0.00           H  
HETATM  120  H   UNL     1      -5.706   5.750  -1.420  1.00  0.00           H  
HETATM  121  H   UNL     1      -4.338   5.692  -0.283  1.00  0.00           H  
HETATM  122  H   UNL     1      -3.561   7.899  -1.104  1.00  0.00           H  
HETATM  123  H   UNL     1      -4.929   7.957  -2.242  1.00  0.00           H  
HETATM  124  H   UNL     1      -5.412   9.148  -0.207  1.00  0.00           H  
HETATM  125  H   UNL     1      -6.399   7.813  -0.311  1.00  0.00           H  
CONECT    1    3    2   10   61                                       
CONECT    2    1   18                                                 
CONECT    3    1    5    4   62                                       
CONECT    4    3   63   64                                            
CONECT    5    3    6    7   65                                       
CONECT    6    5   66                                                 
CONECT    7    5    8    9   67                                       
CONECT    8    7   68                                                 
CONECT    9    7   11   10   69                                       
CONECT   10    1    9                                                 
CONECT   11    9   12   70   71                                       
CONECT   12   11   72                                                 
CONECT   13   15   14   21   73                                       
CONECT   14   13   54   74                                            
CONECT   15   13   16   75   76                                       
CONECT   16   15   17   18   77                                       
CONECT   17   16   78   79                                            
CONECT   18    2   16   19   80                                       
CONECT   19   18   20   21   81                                       
CONECT   20   19   23                                                 
CONECT   21   13   19   22   82                                       
CONECT   22   21   83                                                 
CONECT   23   20   24   25   84                                       
CONECT   24   23   29                                                 
CONECT   25   23   26   27   85                                       
CONECT   26   25   43                                                 
CONECT   27   25   29   28   86                                       
CONECT   28   27   32                                                 
CONECT   29   24   27   30   87                                       
CONECT   30   29   31   88   89                                       
CONECT   31   30   90                                                 
CONECT   32   28   40   33   91                                       
CONECT   33   32   34   35   92                                       
CONECT   34   33   93   94                                            
CONECT   35   33   37   36   95                                       
CONECT   36   35   96                                                 
CONECT   37   35   39   38   97                                       
CONECT   38   37   98                                                 
CONECT   39   37   40   41   99                                       
CONECT   40   32   39                                                 
CONECT   41   39   42  100  101                                       
CONECT   42   41  102  103                                            
CONECT   43   26   44  104  105                                       
CONECT   44   43   45  106  107                                       
CONECT   45   44   46  108                                            
CONECT   46   45   47  109  110                                       
CONECT   47   46   48  111  112                                       
CONECT   48   47   53   53   49                                       
CONECT   49   48   50   50  113                                       
CONECT   50   49   49   51  114                                       
CONECT   51   50   52   52  115                                       
CONECT   52   51   51   53  116                                       
CONECT   53   48   48   52  117                                       
CONECT   54   14   55   55   56                                       
CONECT   55   54   54                                                 
CONECT   56   54   57   58  118                                       
CONECT   57   56  119                                                 
CONECT   58   56   59  120  121                                       
CONECT   59   58   60  122  123                                       
CONECT   60   59  124  125                                            
CONECT   61    1                                                      
CONECT   62    3                                                      
CONECT   63    4                                                      
CONECT   64    4                                                      
CONECT   65    5                                                      
CONECT   66    6                                                      
CONECT   67    7                                                      
CONECT   68    8                                                      
CONECT   69    9                                                      
CONECT   70   11                                                      
CONECT   71   11                                                      
CONECT   72   12                                                      
CONECT   73   13                                                      
CONECT   74   14                                                      
CONECT   75   15                                                      
CONECT   76   15                                                      
CONECT   77   16                                                      
CONECT   78   17                                                      
CONECT   79   17                                                      
CONECT   80   18                                                      
CONECT   81   19                                                      
CONECT   82   21                                                      
CONECT   83   22                                                      
CONECT   84   23                                                      
CONECT   85   25                                                      
CONECT   86   27                                                      
CONECT   87   29                                                      
CONECT   88   30                                                      
CONECT   89   30                                                      
CONECT   90   31                                                      
CONECT   91   32                                                      
CONECT   92   33                                                      
CONECT   93   34                                                      
CONECT   94   34                                                      
CONECT   95   35                                                      
CONECT   96   36                                                      
CONECT   97   37                                                      
CONECT   98   38                                                      
CONECT   99   39                                                      
CONECT  100   41                                                      
CONECT  101   41                                                      
CONECT  102   42                                                      
CONECT  103   42                                                      
CONECT  104   43                                                      
CONECT  105   43                                                      
CONECT  106   44                                                      
CONECT  107   44                                                      
CONECT  108   45                                                      
CONECT  109   46                                                      
CONECT  110   46                                                      
CONECT  111   47                                                      
CONECT  112   47                                                      
CONECT  113   49                                                      
CONECT  114   50                                                      
CONECT  115   51                                                      
CONECT  116   52                                                      
CONECT  117   53                                                      
CONECT  118   56                                                      
CONECT  119   57                                                      
CONECT  120   58                                                      
CONECT  121   58                                                      
CONECT  122   59                                                      
CONECT  123   59                                                      
CONECT  124   60                                                      
CONECT  125   60                                                      
MASTER        0    0    0    0    0    0    0    0  125    0  125    0
END
