COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       9.794  -2.778  -0.053  1.00  0.00           N  
HETATM    2  C   UNL     1      10.380  -3.871   0.734  1.00  0.00           C  
HETATM    3  C   UNL     1       8.773  -2.059   0.721  1.00  0.00           C  
HETATM    4  C   UNL     1       9.315  -0.689   1.132  1.00  0.00           C  
HETATM    5  C   UNL     1      10.553  -0.874   2.013  1.00  0.00           C  
HETATM    6  C   UNL     1       9.693   0.106  -0.119  1.00  0.00           C  
HETATM    7  C   UNL     1       7.537  -1.878  -0.123  1.00  0.00           C  
HETATM    8  O   UNL     1       7.566  -2.146  -1.305  1.00  0.00           O  
HETATM    9  N   UNL     1       6.401  -1.418   0.437  1.00  0.00           N  
HETATM   10  C   UNL     1       5.174  -1.337  -0.359  1.00  0.00           C  
HETATM   11  C   UNL     1       4.266  -0.284   0.224  1.00  0.00           C  
HETATM   12  O   UNL     1       4.136  -0.194   1.426  1.00  0.00           O  
HETATM   13  C   UNL     1       4.462  -2.691  -0.339  1.00  0.00           C  
HETATM   14  C   UNL     1       3.223  -2.629  -1.235  1.00  0.00           C  
HETATM   15  C   UNL     1       5.412  -3.774  -0.856  1.00  0.00           C  
HETATM   16  N   UNL     1       3.599   0.557  -0.591  1.00  0.00           N  
HETATM   17  C   UNL     1       1.319   1.401  -0.323  1.00  0.00           C  
HETATM   18  C   UNL     1       3.233   2.974  -0.649  1.00  0.00           C  
HETATM   19  C   UNL     1       2.800   1.646  -0.025  1.00  0.00           C  
HETATM   20  C   UNL     1       0.468   1.989   0.804  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.986   1.696   0.540  1.00  0.00           C  
HETATM   22  O   UNL     1       0.972   2.028  -1.559  1.00  0.00           O  
HETATM   23  O   UNL     1      -1.305   1.012  -0.409  1.00  0.00           O  
HETATM   24  C   UNL     1       4.647   3.322  -0.180  1.00  0.00           C  
HETATM   25  C   UNL     1       5.642   2.326  -0.778  1.00  0.00           C  
HETATM   26  C   UNL     1       2.266   4.079  -0.219  1.00  0.00           C  
HETATM   27  C   UNL     1       3.673   0.382  -2.044  1.00  0.00           C  
HETATM   28  C   UNL     1       0.466   1.127  -2.546  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.930   2.824   3.446  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.862   2.960  -1.561  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.365   2.313  -0.266  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.102   4.457  -1.377  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.618   0.829  -0.317  1.00  0.00           C  
HETATM   34  N   UNL     1      -1.934   2.195   1.359  1.00  0.00           N  
HETATM   35  C   UNL     1      -3.382   1.989   1.219  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.065   2.720   2.394  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.688   3.037   2.544  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.865   2.570  -0.111  1.00  0.00           C  
HETATM   39  O   UNL     1      -3.617   3.977  -0.134  1.00  0.00           O  
HETATM   40  O   UNL     1      -4.686   0.057  -0.399  1.00  0.00           O  
HETATM   41  O   UNL     1      -9.525  -0.807  -0.412  1.00  0.00           O  
HETATM   42  C   UNL     1      -7.162  -1.546  -1.780  1.00  0.00           C  
HETATM   43  N   UNL     1      -6.880   0.358  -0.272  1.00  0.00           N  
HETATM   44  C   UNL     1      -7.126  -1.085  -0.321  1.00  0.00           C  
HETATM   45  C   UNL     1      -8.467  -1.397   0.346  1.00  0.00           C  
HETATM   46  C   UNL     1      -9.100  -3.575  -0.714  1.00  0.00           C  
HETATM   47  C   UNL     1      -8.407  -3.575   1.578  1.00  0.00           C  
HETATM   48  C   UNL     1      -9.274  -4.945  -0.662  1.00  0.00           C  
HETATM   49  C   UNL     1      -8.587  -4.945   1.632  1.00  0.00           C  
HETATM   50  C   UNL     1      -8.664  -2.890   0.405  1.00  0.00           C  
HETATM   51  C   UNL     1      -9.018  -5.630   0.511  1.00  0.00           C  
HETATM   52  H   UNL     1      11.204  -4.318   0.178  1.00  0.00           H  
HETATM   53  H   UNL     1      10.751  -3.477   1.681  1.00  0.00           H  
HETATM   54  H   UNL     1       9.619  -4.627   0.928  1.00  0.00           H  
HETATM   55  H   UNL     1       8.523  -2.634   1.613  1.00  0.00           H  
HETATM   56  H   UNL     1       8.551  -0.148   1.690  1.00  0.00           H  
HETATM   57  H   UNL     1      11.362  -1.298   1.418  1.00  0.00           H  
HETATM   58  H   UNL     1      10.863   0.092   2.411  1.00  0.00           H  
HETATM   59  H   UNL     1      10.316  -1.547   2.836  1.00  0.00           H  
HETATM   60  H   UNL     1       8.797   0.310  -0.704  1.00  0.00           H  
HETATM   61  H   UNL     1      10.157   1.048   0.175  1.00  0.00           H  
HETATM   62  H   UNL     1      10.395  -0.473  -0.719  1.00  0.00           H  
HETATM   63  H   UNL     1      10.508  -2.146  -0.383  1.00  0.00           H  
HETATM   64  H   UNL     1       6.395  -1.141   1.367  1.00  0.00           H  
HETATM   65  H   UNL     1       5.424  -1.073  -1.386  1.00  0.00           H  
HETATM   66  H   UNL     1       4.161  -2.929   0.681  1.00  0.00           H  
HETATM   67  H   UNL     1       3.530  -2.473  -2.269  1.00  0.00           H  
HETATM   68  H   UNL     1       2.671  -3.566  -1.157  1.00  0.00           H  
HETATM   69  H   UNL     1       2.585  -1.805  -0.916  1.00  0.00           H  
HETATM   70  H   UNL     1       6.294  -3.818  -0.218  1.00  0.00           H  
HETATM   71  H   UNL     1       4.905  -4.739  -0.842  1.00  0.00           H  
HETATM   72  H   UNL     1       5.712  -3.536  -1.877  1.00  0.00           H  
HETATM   73  H   UNL     1       1.136   0.329  -0.395  1.00  0.00           H  
HETATM   74  H   UNL     1       3.222   2.885  -1.736  1.00  0.00           H  
HETATM   75  H   UNL     1       2.952   1.685   1.054  1.00  0.00           H  
HETATM   76  H   UNL     1       0.763   1.541   1.753  1.00  0.00           H  
HETATM   77  H   UNL     1       0.619   3.068   0.849  1.00  0.00           H  
HETATM   78  H   UNL     1       4.901   4.330  -0.506  1.00  0.00           H  
HETATM   79  H   UNL     1       4.691   3.270   0.908  1.00  0.00           H  
HETATM   80  H   UNL     1       5.512   1.353  -0.305  1.00  0.00           H  
HETATM   81  H   UNL     1       5.465   2.235  -1.850  1.00  0.00           H  
HETATM   82  H   UNL     1       6.659   2.681  -0.607  1.00  0.00           H  
HETATM   83  H   UNL     1       2.749   5.050  -0.336  1.00  0.00           H  
HETATM   84  H   UNL     1       1.371   4.041  -0.840  1.00  0.00           H  
HETATM   85  H   UNL     1       1.990   3.934   0.826  1.00  0.00           H  
HETATM   86  H   UNL     1       2.897  -0.313  -2.366  1.00  0.00           H  
HETATM   87  H   UNL     1       3.526   1.344  -2.534  1.00  0.00           H  
HETATM   88  H   UNL     1       4.652  -0.017  -2.312  1.00  0.00           H  
HETATM   89  H   UNL     1      -0.419   0.623  -2.158  1.00  0.00           H  
HETATM   90  H   UNL     1       0.203   1.684  -3.445  1.00  0.00           H  
HETATM   91  H   UNL     1       1.229   0.387  -2.787  1.00  0.00           H  
HETATM   92  H   UNL     1      -3.085   3.677   4.106  1.00  0.00           H  
HETATM   93  H   UNL     1      -2.842   1.901   4.019  1.00  0.00           H  
HETATM   94  H   UNL     1      -6.937   2.806  -1.654  1.00  0.00           H  
HETATM   95  H   UNL     1      -5.649   4.029  -1.538  1.00  0.00           H  
HETATM   96  H   UNL     1      -5.354   2.507  -2.412  1.00  0.00           H  
HETATM   97  H   UNL     1      -5.897   2.744   0.582  1.00  0.00           H  
HETATM   98  H   UNL     1      -2.864   5.517  -1.287  1.00  0.00           H  
HETATM   99  H   UNL     1      -2.199   3.903  -1.634  1.00  0.00           H  
HETATM  100  H   UNL     1      -3.849   4.318  -2.158  1.00  0.00           H  
HETATM  101  H   UNL     1      -3.611   0.924   1.263  1.00  0.00           H  
HETATM  102  H   UNL     1      -4.898   2.134   2.782  1.00  0.00           H  
HETATM  103  H   UNL     1      -4.399   3.712   2.089  1.00  0.00           H  
HETATM  104  H   UNL     1      -1.605   4.085   2.254  1.00  0.00           H  
HETATM  105  H   UNL     1      -0.784   2.713   3.060  1.00  0.00           H  
HETATM  106  H   UNL     1      -3.328   2.094  -0.932  1.00  0.00           H  
HETATM  107  H   UNL     1      -9.580  -1.124  -1.324  1.00  0.00           H  
HETATM  108  H   UNL     1      -7.961  -1.024  -2.306  1.00  0.00           H  
HETATM  109  H   UNL     1      -6.207  -1.324  -2.255  1.00  0.00           H  
HETATM  110  H   UNL     1      -7.345  -2.620  -1.816  1.00  0.00           H  
HETATM  111  H   UNL     1      -7.626   0.975  -0.206  1.00  0.00           H  
HETATM  112  H   UNL     1      -6.328  -1.608   0.206  1.00  0.00           H  
HETATM  113  H   UNL     1      -8.474  -0.989   1.357  1.00  0.00           H  
HETATM  114  H   UNL     1      -9.300  -3.039  -1.630  1.00  0.00           H  
HETATM  115  H   UNL     1      -8.066  -3.040   2.452  1.00  0.00           H  
HETATM  116  H   UNL     1      -9.610  -5.480  -1.537  1.00  0.00           H  
HETATM  117  H   UNL     1      -8.387  -5.480   2.548  1.00  0.00           H  
HETATM  118  H   UNL     1      -9.159  -6.700   0.554  1.00  0.00           H  
CONECT    1    2    3   63                                            
CONECT    2    1   52   53   54                                       
CONECT    3    7    1    4   55                                       
CONECT    4    3    6    5   56                                       
CONECT    5    4   57   58   59                                       
CONECT    6    4   60   61   62                                       
CONECT    7    9    8    8    3                                       
CONECT    8    7    7                                                 
CONECT    9   10    7   64                                            
CONECT   10   13   11    9   65                                       
CONECT   11   10   16   12   12                                       
CONECT   12   11   11                                                 
CONECT   13   15   14   10   66                                       
CONECT   14   13   67   68   69                                       
CONECT   15   13   70   71   72                                       
CONECT   16   27   11   19                                            
CONECT   17   22   20   19   73                                       
CONECT   18   19   26   24   74                                       
CONECT   19   17   16   18   75                                       
CONECT   20   21   17   76   77                                       
CONECT   21   34   20   23   23                                       
CONECT   22   28   17                                                 
CONECT   23   21   21                                                 
CONECT   24   18   25   78   79                                       
CONECT   25   24   80   81   82                                       
CONECT   26   18   83   84   85                                       
CONECT   27   16   86   87   88                                       
CONECT   28   22   89   90   91                                       
CONECT   29   36   37   92   93                                       
CONECT   30   31   94   95   96                                       
CONECT   31   30   38   33   97                                       
CONECT   32   39   98   99  100                                       
CONECT   33   31   43   40   40                                       
CONECT   34   37   35   21                                            
CONECT   35   36   38   34  101                                       
CONECT   36   29   35  102  103                                       
CONECT   37   29   34  104  105                                       
CONECT   38   39   31   35  106                                       
CONECT   39   32   38                                                 
CONECT   40   33   33                                                 
CONECT   41   45  107                                                 
CONECT   42   44  108  109  110                                       
CONECT   43   33   44  111                                            
CONECT   44   43   45   42  112                                       
CONECT   45   50   44   41  113                                       
CONECT   46   50   50   48  114                                       
CONECT   47   49   49   50  115                                       
CONECT   48   51   51   46  116                                       
CONECT   49   47   47   51  117                                       
CONECT   50   47   45   46   46                                       
CONECT   51   49   48   48  118                                       
CONECT   52    2                                                      
CONECT   53    2                                                      
CONECT   54    2                                                      
CONECT   55    3                                                      
CONECT   56    4                                                      
CONECT   57    5                                                      
CONECT   58    5                                                      
CONECT   59    5                                                      
CONECT   60    6                                                      
CONECT   61    6                                                      
CONECT   62    6                                                      
CONECT   63    1                                                      
CONECT   64    9                                                      
CONECT   65   10                                                      
CONECT   66   13                                                      
CONECT   67   14                                                      
CONECT   68   14                                                      
CONECT   69   14                                                      
CONECT   70   15                                                      
CONECT   71   15                                                      
CONECT   72   15                                                      
CONECT   73   17                                                      
CONECT   74   18                                                      
CONECT   75   19                                                      
CONECT   76   20                                                      
CONECT   77   20                                                      
CONECT   78   24                                                      
CONECT   79   24                                                      
CONECT   80   25                                                      
CONECT   81   25                                                      
CONECT   82   25                                                      
CONECT   83   26                                                      
CONECT   84   26                                                      
CONECT   85   26                                                      
CONECT   86   27                                                      
CONECT   87   27                                                      
CONECT   88   27                                                      
CONECT   89   28                                                      
CONECT   90   28                                                      
CONECT   91   28                                                      
CONECT   92   29                                                      
CONECT   93   29                                                      
CONECT   94   30                                                      
CONECT   95   30                                                      
CONECT   96   30                                                      
CONECT   97   31                                                      
CONECT   98   32                                                      
CONECT   99   32                                                      
CONECT  100   32                                                      
CONECT  101   35                                                      
CONECT  102   36                                                      
CONECT  103   36                                                      
CONECT  104   37                                                      
CONECT  105   37                                                      
CONECT  106   38                                                      
CONECT  107   41                                                      
CONECT  108   42                                                      
CONECT  109   42                                                      
CONECT  110   42                                                      
CONECT  111   43                                                      
CONECT  112   44                                                      
CONECT  113   45                                                      
CONECT  114   46                                                      
CONECT  115   47                                                      
CONECT  116   48                                                      
CONECT  117   49                                                      
CONECT  118   51                                                      
MASTER        0    0    0    0    0    0    0    0  118    0  118    0
END
