COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.922  -1.060   2.146  1.00  0.00           C  
HETATM    2  C   UNL     1       1.290  -2.256   1.465  1.00  0.00           C  
HETATM    3  C   UNL     1       0.720  -1.813   0.121  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.604  -2.501  -0.175  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.709  -1.445  -0.269  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.736  -1.601   0.859  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.664  -0.392   0.816  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.069   0.183   2.174  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.873   0.866   2.785  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.852   1.123   4.249  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.511   1.770   4.486  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.334   1.088   3.833  1.00  0.00           C  
HETATM   13  C   UNL     1       0.947   1.288   4.655  1.00  0.00           C  
HETATM   14  C   UNL     1       2.083   0.420   4.081  1.00  0.00           C  
HETATM   15  C   UNL     1       2.953  -0.114   5.230  1.00  0.00           C  
HETATM   16  C   UNL     1       4.099  -0.950   4.656  1.00  0.00           C  
HETATM   17  C   UNL     1       2.342  -3.339   1.248  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.506  -3.206  -1.542  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.996  -1.807   2.174  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.842  -0.830   3.006  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.592  -0.208   4.893  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.597   3.232   4.010  1.00  0.00           C  
HETATM   23  C   UNL     1       0.779   0.916   6.127  1.00  0.00           C  
HETATM   24  O   UNL     1       2.826  -0.473   1.581  1.00  0.00           O  
HETATM   25  O   UNL     1      -3.511  -2.803   0.625  1.00  0.00           O  
HETATM   26  O   UNL     1      -0.117   1.732   2.554  1.00  0.00           O  
HETATM   27  O   UNL     1       1.362   2.660   4.569  1.00  0.00           O  
HETATM   28  O   UNL     1       1.502  -0.692   3.359  1.00  0.00           O  
HETATM   29  C   UNL     1      -1.896  -0.456  -2.330  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.491  -0.561  -3.736  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.951   0.588  -4.593  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.225   1.910  -3.867  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.651   1.829  -2.450  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.891   3.157  -1.729  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.016   1.005  -5.652  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.005   1.662  -6.691  1.00  0.00           C  
HETATM   37  O   UNL     1      -2.367  -1.544  -1.532  1.00  0.00           O  
HETATM   38  O   UNL     1      -2.117  -1.810  -4.321  1.00  0.00           O  
HETATM   39  N   UNL     1      -2.627   0.594  -5.898  1.00  0.00           N  
HETATM   40  O   UNL     1      -2.289   0.776  -1.730  1.00  0.00           O  
HETATM   41  C   UNL     1       2.290  -0.869  -1.276  1.00  0.00           C  
HETATM   42  C   UNL     1       3.534  -1.177  -2.110  1.00  0.00           C  
HETATM   43  C   UNL     1       4.236   0.121  -2.501  1.00  0.00           C  
HETATM   44  C   UNL     1       3.250   1.134  -3.066  1.00  0.00           C  
HETATM   45  C   UNL     1       1.912   1.173  -2.352  1.00  0.00           C  
HETATM   46  C   UNL     1       1.963   2.075  -1.119  1.00  0.00           C  
HETATM   47  C   UNL     1       4.988   0.699  -1.299  1.00  0.00           C  
HETATM   48  C   UNL     1       5.931   1.021  -3.777  1.00  0.00           C  
HETATM   49  O   UNL     1       1.660  -2.110  -0.921  1.00  0.00           O  
HETATM   50  O   UNL     1       5.208  -0.184  -3.522  1.00  0.00           O  
HETATM   51  O   UNL     1       3.033   0.850  -4.458  1.00  0.00           O  
HETATM   52  O   UNL     1       1.381  -0.096  -2.041  1.00  0.00           O  
HETATM   53  H   UNL     1       0.496  -2.638   2.108  1.00  0.00           H  
HETATM   54  H   UNL     1       0.551  -0.720   0.136  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.820  -3.256   0.575  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.249  -0.455  -0.180  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.132   0.422   0.288  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.552  -0.627   0.209  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.834   0.980   1.934  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.954   0.450   2.473  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.888   1.886   2.310  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.419   1.789   5.580  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.478   0.031   3.622  1.00  0.00           H  
HETATM   64  H   UNL     1       2.705   1.036   3.435  1.00  0.00           H  
HETATM   65  H   UNL     1       2.345  -0.735   5.888  1.00  0.00           H  
HETATM   66  H   UNL     1       3.362   0.722   5.796  1.00  0.00           H  
HETATM   67  H   UNL     1       4.716  -1.329   5.471  1.00  0.00           H  
HETATM   68  H   UNL     1       3.690  -1.787   4.090  1.00  0.00           H  
HETATM   69  H   UNL     1       4.707  -0.329   3.998  1.00  0.00           H  
HETATM   70  H   UNL     1       2.752  -3.646   2.210  1.00  0.00           H  
HETATM   71  H   UNL     1       1.884  -4.198   0.757  1.00  0.00           H  
HETATM   72  H   UNL     1       3.143  -2.947   0.621  1.00  0.00           H  
HETATM   73  H   UNL     1       0.263  -3.976  -1.499  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.465  -3.663  -1.785  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.247  -2.476  -2.309  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.235  -1.035   2.289  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.702  -1.747   3.002  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.520  -2.788   2.173  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.063  -0.403   3.985  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.774  -1.080   2.500  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.242  -1.732   3.130  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.713  -0.665   4.439  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.419  -0.067   5.960  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.456  -0.856   4.747  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.371   3.752   4.574  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.638   3.724   4.171  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.844   3.254   2.948  1.00  0.00           H  
HETATM   88  H   UNL     1       1.721   1.079   6.652  1.00  0.00           H  
HETATM   89  H   UNL     1       0.002   1.537   6.573  1.00  0.00           H  
HETATM   90  H   UNL     1       0.496  -0.133   6.207  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.146  -2.872   1.350  1.00  0.00           H  
HETATM   92  H   UNL     1       0.671   1.329   2.168  1.00  0.00           H  
HETATM   93  H   UNL     1       2.168   2.742   5.097  1.00  0.00           H  
HETATM   94  H   UNL     1      -0.808  -0.498  -2.392  1.00  0.00           H  
HETATM   95  H   UNL     1      -3.577  -0.495  -3.679  1.00  0.00           H  
HETATM   96  H   UNL     1      -0.878   0.466  -4.738  1.00  0.00           H  
HETATM   97  H   UNL     1      -3.300   2.082  -3.815  1.00  0.00           H  
HETATM   98  H   UNL     1      -1.749   2.729  -4.407  1.00  0.00           H  
HETATM   99  H   UNL     1      -0.580   1.634  -2.504  1.00  0.00           H  
HETATM  100  H   UNL     1      -1.478   3.102  -0.722  1.00  0.00           H  
HETATM  101  H   UNL     1      -1.404   3.962  -2.279  1.00  0.00           H  
HETATM  102  H   UNL     1      -2.962   3.351  -1.673  1.00  0.00           H  
HETATM  103  H   UNL     1      -4.600   0.875  -6.563  1.00  0.00           H  
HETATM  104  H   UNL     1      -4.441   0.391  -4.858  1.00  0.00           H  
HETATM  105  H   UNL     1      -4.037   2.052  -5.353  1.00  0.00           H  
HETATM  106  H   UNL     1      -2.466   1.697  -7.678  1.00  0.00           H  
HETATM  107  H   UNL     1      -2.149   2.619  -6.188  1.00  0.00           H  
HETATM  108  H   UNL     1      -0.938   1.464  -6.795  1.00  0.00           H  
HETATM  109  H   UNL     1      -2.476  -2.504  -3.751  1.00  0.00           H  
HETATM  110  H   UNL     1       2.572  -0.359  -0.359  1.00  0.00           H  
HETATM  111  H   UNL     1       4.216  -1.800  -1.526  1.00  0.00           H  
HETATM  112  H   UNL     1       3.242  -1.722  -3.010  1.00  0.00           H  
HETATM  113  H   UNL     1       3.708   2.136  -3.008  1.00  0.00           H  
HETATM  114  H   UNL     1       1.189   1.653  -3.054  1.00  0.00           H  
HETATM  115  H   UNL     1       0.988   2.080  -0.631  1.00  0.00           H  
HETATM  116  H   UNL     1       2.715   1.700  -0.425  1.00  0.00           H  
HETATM  117  H   UNL     1       2.222   3.090  -1.422  1.00  0.00           H  
HETATM  118  H   UNL     1       5.824   0.047  -1.046  1.00  0.00           H  
HETATM  119  H   UNL     1       5.364   1.691  -1.549  1.00  0.00           H  
HETATM  120  H   UNL     1       4.311   0.770  -0.448  1.00  0.00           H  
HETATM  121  H   UNL     1       6.606   0.868  -4.619  1.00  0.00           H  
HETATM  122  H   UNL     1       5.231   1.822  -4.014  1.00  0.00           H  
HETATM  123  H   UNL     1       6.509   1.292  -2.893  1.00  0.00           H  
HETATM  124  H   UNL     1       2.405   1.509  -4.783  1.00  0.00           H  
CONECT    1    2   24   24   28                                       
CONECT    2    1    3   17   53                                       
CONECT    3    2    4   49   54                                       
CONECT    4    3    5   18   55                                       
CONECT    5    4    6   37   56                                       
CONECT    6    5    7   19   25                                       
CONECT    7    6    8   57   58                                       
CONECT    8    7    9   20   59                                       
CONECT    9    8   10   60   61                                       
CONECT   10    9   11   21                                            
CONECT   11   10   12   22   62                                       
CONECT   12   11   13   26   63                                       
CONECT   13   12   14   23   27                                       
CONECT   14   13   15   28   64                                       
CONECT   15   14   16   65   66                                       
CONECT   16   15   67   68   69                                       
CONECT   17    2   70   71   72                                       
CONECT   18    4   73   74   75                                       
CONECT   19    6   76   77   78                                       
CONECT   20    8   79   80   81                                       
CONECT   21   10   82   83   84                                       
CONECT   22   11   85   86   87                                       
CONECT   23   13   88   89   90                                       
CONECT   24    1    1                                                 
CONECT   25    6   91                                                 
CONECT   26   12   92                                                 
CONECT   27   13   93                                                 
CONECT   28    1   14                                                 
CONECT   29   30   37   40   94                                       
CONECT   30   29   31   38   95                                       
CONECT   31   30   32   39   96                                       
CONECT   32   31   33   97   98                                       
CONECT   33   32   34   40   99                                       
CONECT   34   33  100  101  102                                       
CONECT   35   39  103  104  105                                       
CONECT   36   39  106  107  108                                       
CONECT   37    5   29                                                 
CONECT   38   30  109                                                 
CONECT   39   31   35   36                                            
CONECT   40   29   33                                                 
CONECT   41   42   49   52  110                                       
CONECT   42   41   43  111  112                                       
CONECT   43   42   44   47   50                                       
CONECT   44   43   45   51  113                                       
CONECT   45   44   46   52  114                                       
CONECT   46   45  115  116  117                                       
CONECT   47   43  118  119  120                                       
CONECT   48   50  121  122  123                                       
CONECT   49    3   41                                                 
CONECT   50   43   48                                                 
CONECT   51   44  124                                                 
CONECT   52   41   45                                                 
CONECT   53    2                                                      
CONECT   54    3                                                      
CONECT   55    4                                                      
CONECT   56    5                                                      
CONECT   57    7                                                      
CONECT   58    7                                                      
CONECT   59    8                                                      
CONECT   60    9                                                      
CONECT   61    9                                                      
CONECT   62   11                                                      
CONECT   63   12                                                      
CONECT   64   14                                                      
CONECT   65   15                                                      
CONECT   66   15                                                      
CONECT   67   16                                                      
CONECT   68   16                                                      
CONECT   69   16                                                      
CONECT   70   17                                                      
CONECT   71   17                                                      
CONECT   72   17                                                      
CONECT   73   18                                                      
CONECT   74   18                                                      
CONECT   75   18                                                      
CONECT   76   19                                                      
CONECT   77   19                                                      
CONECT   78   19                                                      
CONECT   79   20                                                      
CONECT   80   20                                                      
CONECT   81   20                                                      
CONECT   82   21                                                      
CONECT   83   21                                                      
CONECT   84   21                                                      
CONECT   85   22                                                      
CONECT   86   22                                                      
CONECT   87   22                                                      
CONECT   88   23                                                      
CONECT   89   23                                                      
CONECT   90   23                                                      
CONECT   91   25                                                      
CONECT   92   26                                                      
CONECT   93   27                                                      
CONECT   94   29                                                      
CONECT   95   30                                                      
CONECT   96   31                                                      
CONECT   97   32                                                      
CONECT   98   32                                                      
CONECT   99   33                                                      
CONECT  100   34                                                      
CONECT  101   34                                                      
CONECT  102   34                                                      
CONECT  103   35                                                      
CONECT  104   35                                                      
CONECT  105   35                                                      
CONECT  106   36                                                      
CONECT  107   36                                                      
CONECT  108   36                                                      
CONECT  109   38                                                      
CONECT  110   41                                                      
CONECT  111   42                                                      
CONECT  112   42                                                      
CONECT  113   44                                                      
CONECT  114   45                                                      
CONECT  115   46                                                      
CONECT  116   46                                                      
CONECT  117   46                                                      
CONECT  118   47                                                      
CONECT  119   47                                                      
CONECT  120   47                                                      
CONECT  121   48                                                      
CONECT  122   48                                                      
CONECT  123   48                                                      
CONECT  124   51                                                      
MASTER        0    0    0    0    0    0    0    0  124    0  124    0
END
