COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -10.624  -2.251  -2.095  1.00  0.00           C  
HETATM    2  C   UNL     1      -9.543  -2.987  -2.006  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.246  -2.494  -2.593  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.178  -2.502  -1.529  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.398  -3.627  -1.342  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.419  -3.635  -0.366  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.975  -1.382  -0.745  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.996  -1.389   0.230  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.219  -2.517   0.421  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.152  -2.525   1.485  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.802  -2.174   0.857  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.864  -0.782   0.280  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.464  -0.574  -0.846  1.00  0.00           O  
HETATM   14  N   UNL     1      -3.362   0.230   1.016  1.00  0.00           N  
HETATM   15  C   UNL     1      -3.505   1.564   0.426  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.855   1.664  -0.287  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.087   3.107  -0.739  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.857   0.741  -1.507  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.432   2.605   1.513  1.00  0.00           C  
HETATM   20  O   UNL     1      -3.489   2.270   2.678  1.00  0.00           O  
HETATM   21  N   UNL     1      -3.305   3.907   1.192  1.00  0.00           N  
HETATM   22  C   UNL     1      -3.150   4.911   2.248  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.028   6.279   1.627  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.844   7.237   1.990  1.00  0.00           C  
HETATM   25  O   UNL     1      -2.504  -3.107  -0.183  1.00  0.00           O  
HETATM   26  C   UNL     1      -1.710  -2.235   1.926  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.352  -1.942   1.285  1.00  0.00           C  
HETATM   28  C   UNL     1       0.741  -2.008   2.354  1.00  0.00           C  
HETATM   29  N   UNL     1       2.045  -1.728   1.738  1.00  0.00           N  
HETATM   30  N   UNL     1       2.124  -0.428   1.327  1.00  0.00           N  
HETATM   31  C   UNL     1       2.396  -0.145   0.038  1.00  0.00           C  
HETATM   32  O   UNL     1       2.641  -1.041  -0.742  1.00  0.00           O  
HETATM   33  C   UNL     1       2.395   1.286  -0.435  1.00  0.00           C  
HETATM   34  C   UNL     1       0.955   1.794  -0.524  1.00  0.00           C  
HETATM   35  C   UNL     1       0.345   1.846   0.878  1.00  0.00           C  
HETATM   36  C   UNL     1       0.945   3.195  -1.137  1.00  0.00           C  
HETATM   37  C   UNL     1       0.134   0.847  -1.402  1.00  0.00           C  
HETATM   38  N   UNL     1       3.023   1.364  -1.757  1.00  0.00           N  
HETATM   39  C   UNL     1       3.591   2.516  -2.167  1.00  0.00           C  
HETATM   40  O   UNL     1       3.582   3.490  -1.440  1.00  0.00           O  
HETATM   41  O   UNL     1       4.167   2.587  -3.381  1.00  0.00           O  
HETATM   42  C   UNL     1       4.759   3.859  -3.756  1.00  0.00           C  
HETATM   43  C   UNL     1       3.143  -2.057   2.658  1.00  0.00           C  
HETATM   44  C   UNL     1       4.462  -1.875   1.952  1.00  0.00           C  
HETATM   45  C   UNL     1       5.102  -0.650   1.993  1.00  0.00           C  
HETATM   46  C   UNL     1       6.310  -0.477   1.348  1.00  0.00           C  
HETATM   47  C   UNL     1       5.030  -2.936   1.270  1.00  0.00           C  
HETATM   48  C   UNL     1       6.238  -2.775   0.621  1.00  0.00           C  
HETATM   49  C   UNL     1       6.885  -1.541   0.655  1.00  0.00           C  
HETATM   50  C   UNL     1       8.184  -1.362  -0.040  1.00  0.00           C  
HETATM   51  C   UNL     1       8.758  -2.425  -0.733  1.00  0.00           C  
HETATM   52  C   UNL     1       9.966  -2.253  -1.378  1.00  0.00           C  
HETATM   53  C   UNL     1      10.606  -1.027  -1.337  1.00  0.00           C  
HETATM   54  C   UNL     1      10.040   0.032  -0.650  1.00  0.00           C  
HETATM   55  C   UNL     1       8.830  -0.128  -0.007  1.00  0.00           C  
HETATM   56  H   UNL     1     -10.585  -1.291  -2.588  1.00  0.00           H  
HETATM   57  H   UNL     1     -11.554  -2.607  -1.678  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.582  -3.947  -1.513  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.947  -3.146  -3.413  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.379  -1.478  -2.967  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.554  -4.501  -1.957  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.582  -0.501  -0.895  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.809  -4.515  -0.220  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.837  -0.514   0.843  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.398  -1.791   2.252  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.096  -3.516   1.936  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.449  -4.025   0.116  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.915  -1.493   2.698  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.694  -3.229   2.372  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.627   0.077   1.937  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.701   1.731  -0.291  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.650   1.365   0.396  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.285   3.410  -1.413  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.043   3.176  -1.258  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.097   3.764   0.131  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.753  -0.294  -1.179  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.795   0.858  -2.049  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.024   1.000  -2.160  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.315   4.180   0.261  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.021   4.886   2.903  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.253   4.693   2.828  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.268   6.468   0.884  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.604   7.048   2.733  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.756   8.218   1.545  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.148  -2.681   0.511  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.367  -0.946   0.842  1.00  0.00           H  
HETATM   87  H   UNL     1       0.538  -1.267   3.127  1.00  0.00           H  
HETATM   88  H   UNL     1       0.755  -3.003   2.799  1.00  0.00           H  
HETATM   89  H   UNL     1       1.985   0.291   1.963  1.00  0.00           H  
HETATM   90  H   UNL     1       3.101  -1.398   3.525  1.00  0.00           H  
HETATM   91  H   UNL     1       3.045  -3.093   2.984  1.00  0.00           H  
HETATM   92  H   UNL     1       2.955   1.902   0.269  1.00  0.00           H  
HETATM   93  H   UNL     1       3.030   0.587  -2.337  1.00  0.00           H  
HETATM   94  H   UNL     1       0.980   2.448   1.528  1.00  0.00           H  
HETATM   95  H   UNL     1      -0.648   2.292   0.826  1.00  0.00           H  
HETATM   96  H   UNL     1       0.269   0.835   1.279  1.00  0.00           H  
HETATM   97  H   UNL     1       1.379   3.158  -2.136  1.00  0.00           H  
HETATM   98  H   UNL     1      -0.082   3.557  -1.201  1.00  0.00           H  
HETATM   99  H   UNL     1       1.529   3.870  -0.512  1.00  0.00           H  
HETATM  100  H   UNL     1       0.072  -0.131  -0.924  1.00  0.00           H  
HETATM  101  H   UNL     1      -0.870   1.251  -1.533  1.00  0.00           H  
HETATM  102  H   UNL     1       0.614   0.745  -2.375  1.00  0.00           H  
HETATM  103  H   UNL     1       5.187   3.780  -4.755  1.00  0.00           H  
HETATM  104  H   UNL     1       3.991   4.633  -3.751  1.00  0.00           H  
HETATM  105  H   UNL     1       5.542   4.120  -3.044  1.00  0.00           H  
HETATM  106  H   UNL     1       4.655   0.174   2.530  1.00  0.00           H  
HETATM  107  H   UNL     1       4.528  -3.892   1.245  1.00  0.00           H  
HETATM  108  H   UNL     1       6.809   0.480   1.381  1.00  0.00           H  
HETATM  109  H   UNL     1       6.681  -3.603   0.089  1.00  0.00           H  
HETATM  110  H   UNL     1       8.259  -3.383  -0.765  1.00  0.00           H  
HETATM  111  H   UNL     1       8.387   0.701   0.525  1.00  0.00           H  
HETATM  112  H   UNL     1      10.413  -3.076  -1.915  1.00  0.00           H  
HETATM  113  H   UNL     1      11.552  -0.897  -1.842  1.00  0.00           H  
HETATM  114  H   UNL     1      10.545   0.986  -0.621  1.00  0.00           H  
CONECT    1    2    2   56   57                                       
CONECT    2    1    1    3   58                                       
CONECT    3    2    4   59   60                                       
CONECT    4    3    5    7    7                                       
CONECT    5    4    6    6   61                                       
CONECT    6    5    5    9   63                                       
CONECT    7    4    4    8   62                                       
CONECT    8    7    9    9   64                                       
CONECT    9    6    8    8   10                                       
CONECT   10    9   11   65   66                                       
CONECT   11   10   12   25   26                                       
CONECT   12   11   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   15   70                                            
CONECT   15   14   16   19   71                                       
CONECT   16   15   17   18   72                                       
CONECT   17   16   73   74   75                                       
CONECT   18   16   76   77   78                                       
CONECT   19   15   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   22   79                                            
CONECT   22   21   23   80   81                                       
CONECT   23   22   24   24   82                                       
CONECT   24   23   23   83   84                                       
CONECT   25   11   67                                                 
CONECT   26   11   27   68   69                                       
CONECT   27   26   28   85   86                                       
CONECT   28   27   29   87   88                                       
CONECT   29   28   30   43                                            
CONECT   30   29   31   89                                            
CONECT   31   30   32   32   33                                       
CONECT   32   31   31                                                 
CONECT   33   31   34   38   92                                       
CONECT   34   33   35   36   37                                       
CONECT   35   34   94   95   96                                       
CONECT   36   34   97   98   99                                       
CONECT   37   34  100  101  102                                       
CONECT   38   33   39   93                                            
CONECT   39   38   40   40   41                                       
CONECT   40   39   39                                                 
CONECT   41   39   42                                                 
CONECT   42   41  103  104  105                                       
CONECT   43   29   44   90   91                                       
CONECT   44   43   45   47   47                                       
CONECT   45   44   46   46  106                                       
CONECT   46   45   45   49  108                                       
CONECT   47   44   44   48  107                                       
CONECT   48   47   49   49  109                                       
CONECT   49   46   48   48   50                                       
CONECT   50   49   51   55   55                                       
CONECT   51   50   52   52  110                                       
CONECT   52   51   51   53  112                                       
CONECT   53   52   54   54  113                                       
CONECT   54   53   53   55  114                                       
CONECT   55   50   50   54  111                                       
CONECT   56    1                                                      
CONECT   57    1                                                      
CONECT   58    2                                                      
CONECT   59    3                                                      
CONECT   60    3                                                      
CONECT   61    5                                                      
CONECT   62    7                                                      
CONECT   63    6                                                      
CONECT   64    8                                                      
CONECT   65   10                                                      
CONECT   66   10                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   26                                                      
CONECT   70   14                                                      
CONECT   71   15                                                      
CONECT   72   16                                                      
CONECT   73   17                                                      
CONECT   74   17                                                      
CONECT   75   17                                                      
CONECT   76   18                                                      
CONECT   77   18                                                      
CONECT   78   18                                                      
CONECT   79   21                                                      
CONECT   80   22                                                      
CONECT   81   22                                                      
CONECT   82   23                                                      
CONECT   83   24                                                      
CONECT   84   24                                                      
CONECT   85   27                                                      
CONECT   86   27                                                      
CONECT   87   28                                                      
CONECT   88   28                                                      
CONECT   89   30                                                      
CONECT   90   43                                                      
CONECT   91   43                                                      
CONECT   92   33                                                      
CONECT   93   38                                                      
CONECT   94   35                                                      
CONECT   95   35                                                      
CONECT   96   35                                                      
CONECT   97   36                                                      
CONECT   98   36                                                      
CONECT   99   36                                                      
CONECT  100   37                                                      
CONECT  101   37                                                      
CONECT  102   37                                                      
CONECT  103   42                                                      
CONECT  104   42                                                      
CONECT  105   42                                                      
CONECT  106   45                                                      
CONECT  107   47                                                      
CONECT  108   46                                                      
CONECT  109   48                                                      
CONECT  110   51                                                      
CONECT  111   55                                                      
CONECT  112   52                                                      
CONECT  113   53                                                      
CONECT  114   54                                                      
MASTER        0    0    0    0    0    0    0    0  114    0  114    0
END
