COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.192   1.141  -0.370  1.00  0.00           C  
HETATM    2  C   UNL     1       5.520   2.730   1.437  1.00  0.00           C  
HETATM    3  C   UNL     1       8.598   0.688  -0.870  1.00  0.00           C  
HETATM    4  C   UNL     1      10.791  -1.312  -3.082  1.00  0.00           C  
HETATM    5  C   UNL     1      11.794  -0.762  -2.047  1.00  0.00           C  
HETATM    6  C   UNL     1      10.960   0.159  -1.131  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.180   3.136   0.870  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.071   4.129  -0.219  1.00  0.00           C  
HETATM    9  O   UNL     1      -2.834   0.258   2.446  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.920  -0.106   1.731  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.584   0.507   1.872  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.067   1.311   0.845  1.00  0.00           C  
HETATM   13  C   UNL     1       1.190   1.885   0.984  1.00  0.00           C  
HETATM   14  C   UNL     1       1.931   1.660   2.140  1.00  0.00           C  
HETATM   15  C   UNL     1       1.413   0.859   3.161  1.00  0.00           C  
HETATM   16  C   UNL     1       0.166   0.292   3.032  1.00  0.00           C  
HETATM   17  C   UNL     1       3.272   2.271   2.289  1.00  0.00           C  
HETATM   18  N   UNL     1       4.154   2.214   1.272  1.00  0.00           N  
HETATM   19  C   UNL     1       3.769   1.637  -0.023  1.00  0.00           C  
HETATM   20  C   UNL     1       4.781   0.550  -0.399  1.00  0.00           C  
HETATM   21  C   UNL     1       6.513   1.631   1.044  1.00  0.00           C  
HETATM   22  C   UNL     1       7.203   0.067  -0.778  1.00  0.00           C  
HETATM   23  N   UNL     1       9.568  -0.343  -1.263  1.00  0.00           N  
HETATM   24  C   UNL     1       9.436  -0.677  -2.704  1.00  0.00           C  
HETATM   25  O   UNL     1       3.576   2.823   3.328  1.00  0.00           O  
HETATM   26  N   UNL     1      -0.811   1.532  -0.308  1.00  0.00           N  
HETATM   27  C   UNL     1      -1.906   2.403  -0.277  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.261   3.994   0.899  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.801   3.394  -1.364  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.720   2.535  -1.395  1.00  0.00           C  
HETATM   31  O   UNL     1      -5.135   4.974  -0.190  1.00  0.00           O  
HETATM   32  C   UNL     1      -5.926   5.064  -1.377  1.00  0.00           C  
HETATM   33  N   UNL     1      -6.846   3.920  -1.440  1.00  0.00           N  
HETATM   34  C   UNL     1      -8.112   4.216  -0.722  1.00  0.00           C  
HETATM   35  C   UNL     1      -9.106   3.188  -1.320  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.689   3.129  -2.807  1.00  0.00           C  
HETATM   37  C   UNL     1      -7.233   3.628  -2.837  1.00  0.00           C  
HETATM   38  N   UNL     1      -2.125  -1.068   0.811  1.00  0.00           N  
HETATM   39  C   UNL     1      -1.061  -1.444  -0.130  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.843  -2.959  -0.047  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.175  -3.675  -0.285  1.00  0.00           C  
HETATM   42  C   UNL     1      -3.174  -3.271   0.801  1.00  0.00           C  
HETATM   43  C   UNL     1      -3.417  -1.765   0.732  1.00  0.00           C  
HETATM   44  C   UNL     1      -1.954  -5.188  -0.238  1.00  0.00           C  
HETATM   45  C   UNL     1      -3.257  -5.905  -0.598  1.00  0.00           C  
HETATM   46  N   UNL     1      -3.046  -7.358  -0.553  1.00  0.00           N  
HETATM   47  C   UNL     1      -2.921  -7.834   0.848  1.00  0.00           C  
HETATM   48  C   UNL     1      -3.236  -9.347   0.738  1.00  0.00           C  
HETATM   49  C   UNL     1      -4.355  -9.391  -0.328  1.00  0.00           C  
HETATM   50  C   UNL     1      -4.204  -8.080  -1.123  1.00  0.00           C  
HETATM   51  H   UNL     1       6.250   1.978  -1.066  1.00  0.00           H  
HETATM   52  H   UNL     1       5.663   3.598   0.793  1.00  0.00           H  
HETATM   53  H   UNL     1       5.681   3.013   2.477  1.00  0.00           H  
HETATM   54  H   UNL     1       8.593   1.485  -1.614  1.00  0.00           H  
HETATM   55  H   UNL     1       8.877   1.100   0.100  1.00  0.00           H  
HETATM   56  H   UNL     1      11.083  -1.012  -4.088  1.00  0.00           H  
HETATM   57  H   UNL     1      10.734  -2.399  -3.013  1.00  0.00           H  
HETATM   58  H   UNL     1      12.228  -1.579  -1.469  1.00  0.00           H  
HETATM   59  H   UNL     1      12.578  -0.192  -2.545  1.00  0.00           H  
HETATM   60  H   UNL     1      11.298   0.075  -0.098  1.00  0.00           H  
HETATM   61  H   UNL     1      11.028   1.193  -1.469  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.550   3.031   1.741  1.00  0.00           H  
HETATM   63  H   UNL     1       1.592   2.504   0.196  1.00  0.00           H  
HETATM   64  H   UNL     1       1.992   0.687   4.057  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.231  -0.326   3.823  1.00  0.00           H  
HETATM   66  H   UNL     1       2.774   1.199   0.054  1.00  0.00           H  
HETATM   67  H   UNL     1       3.769   2.416  -0.785  1.00  0.00           H  
HETATM   68  H   UNL     1       4.562   0.180  -1.401  1.00  0.00           H  
HETATM   69  H   UNL     1       4.715  -0.271   0.315  1.00  0.00           H  
HETATM   70  H   UNL     1       6.431   0.800   1.745  1.00  0.00           H  
HETATM   71  H   UNL     1       7.527   2.030   1.070  1.00  0.00           H  
HETATM   72  H   UNL     1       7.208  -0.729  -0.034  1.00  0.00           H  
HETATM   73  H   UNL     1       6.924  -0.344  -1.748  1.00  0.00           H  
HETATM   74  H   UNL     1       9.263   0.226  -3.289  1.00  0.00           H  
HETATM   75  H   UNL     1       8.626  -1.391  -2.856  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.571   1.083  -1.133  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.477   4.561   1.793  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.437   3.493  -2.232  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.508   1.965  -2.288  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.499   5.991  -1.363  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.273   5.054  -2.250  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.993   4.057   0.350  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.442   5.234  -0.927  1.00  0.00           H  
HETATM   84  H   UNL     1      -8.985   2.214  -0.846  1.00  0.00           H  
HETATM   85  H   UNL     1     -10.132   3.542  -1.220  1.00  0.00           H  
HETATM   86  H   UNL     1      -8.746   2.105  -3.175  1.00  0.00           H  
HETATM   87  H   UNL     1      -9.325   3.782  -3.405  1.00  0.00           H  
HETATM   88  H   UNL     1      -7.163   4.534  -3.439  1.00  0.00           H  
HETATM   89  H   UNL     1      -6.584   2.855  -3.248  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.356  -1.172  -1.143  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.139  -0.928   0.136  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.125  -3.265  -0.808  1.00  0.00           H  
HETATM   93  H   UNL     1      -0.462  -3.218   0.940  1.00  0.00           H  
HETATM   94  H   UNL     1      -2.568  -3.396  -1.263  1.00  0.00           H  
HETATM   95  H   UNL     1      -4.115  -3.800   0.644  1.00  0.00           H  
HETATM   96  H   UNL     1      -2.771  -3.528   1.780  1.00  0.00           H  
HETATM   97  H   UNL     1      -4.048  -1.459   1.566  1.00  0.00           H  
HETATM   98  H   UNL     1      -3.908  -1.519  -0.210  1.00  0.00           H  
HETATM   99  H   UNL     1      -1.178  -5.465  -0.951  1.00  0.00           H  
HETATM  100  H   UNL     1      -1.646  -5.480   0.766  1.00  0.00           H  
HETATM  101  H   UNL     1      -4.034  -5.628   0.115  1.00  0.00           H  
HETATM  102  H   UNL     1      -3.566  -5.614  -1.602  1.00  0.00           H  
HETATM  103  H   UNL     1      -1.908  -7.678   1.219  1.00  0.00           H  
HETATM  104  H   UNL     1      -3.648  -7.336   1.490  1.00  0.00           H  
HETATM  105  H   UNL     1      -2.360  -9.900   0.400  1.00  0.00           H  
HETATM  106  H   UNL     1      -3.596  -9.737   1.690  1.00  0.00           H  
HETATM  107  H   UNL     1      -4.218 -10.249  -0.986  1.00  0.00           H  
HETATM  108  H   UNL     1      -5.333  -9.432   0.151  1.00  0.00           H  
HETATM  109  H   UNL     1      -5.106  -7.477  -1.018  1.00  0.00           H  
HETATM  110  H   UNL     1      -4.023  -8.302  -2.174  1.00  0.00           H  
CONECT    1   21   20   22   51                                       
CONECT    2   18   21   52   53                                       
CONECT    3   22   23   54   55                                       
CONECT    4   24    5   56   57                                       
CONECT    5    4    6   58   59                                       
CONECT    6   23    5   60   61                                       
CONECT    7   27   28   28   62                                       
CONECT    8   29   29   28   31                                       
CONECT    9   10   10                                                 
CONECT   10    9    9   38   11                                       
CONECT   11   10   16   12   12                                       
CONECT   12   11   11   13   26                                       
CONECT   13   14   14   12   63                                       
CONECT   14   15   13   13   17                                       
CONECT   15   16   16   14   64                                       
CONECT   16   15   15   11   65                                       
CONECT   17   14   18   25   25                                       
CONECT   18    2   17   19                                            
CONECT   19   18   20   66   67                                       
CONECT   20   19    1   68   69                                       
CONECT   21    2    1   70   71                                       
CONECT   22    1    3   72   73                                       
CONECT   23   24    3    6                                            
CONECT   24    4   23   74   75                                       
CONECT   25   17   17                                                 
CONECT   26   12   27   76                                            
CONECT   27   26   30   30    7                                       
CONECT   28    7    7    8   77                                       
CONECT   29   30    8    8   78                                       
CONECT   30   27   27   29   79                                       
CONECT   31    8   32                                                 
CONECT   32   33   31   80   81                                       
CONECT   33   34   32   37                                            
CONECT   34   35   33   82   83                                       
CONECT   35   34   36   84   85                                       
CONECT   36   35   37   86   87                                       
CONECT   37   36   33   88   89                                       
CONECT   38   39   10   43                                            
CONECT   39   38   40   90   91                                       
CONECT   40   39   41   92   93                                       
CONECT   41   40   42   44   94                                       
CONECT   42   43   41   95   96                                       
CONECT   43   38   42   97   98                                       
CONECT   44   41   45   99  100                                       
CONECT   45   44   46  101  102                                       
CONECT   46   47   45   50                                            
CONECT   47   48   46  103  104                                       
CONECT   48   47   49  105  106                                       
CONECT   49   48   50  107  108                                       
CONECT   50   46   49  109  110                                       
CONECT   51    1                                                      
CONECT   52    2                                                      
CONECT   53    2                                                      
CONECT   54    3                                                      
CONECT   55    3                                                      
CONECT   56    4                                                      
CONECT   57    4                                                      
CONECT   58    5                                                      
CONECT   59    5                                                      
CONECT   60    6                                                      
CONECT   61    6                                                      
CONECT   62    7                                                      
CONECT   63   13                                                      
CONECT   64   15                                                      
CONECT   65   16                                                      
CONECT   66   19                                                      
CONECT   67   19                                                      
CONECT   68   20                                                      
CONECT   69   20                                                      
CONECT   70   21                                                      
CONECT   71   21                                                      
CONECT   72   22                                                      
CONECT   73   22                                                      
CONECT   74   24                                                      
CONECT   75   24                                                      
CONECT   76   26                                                      
CONECT   77   28                                                      
CONECT   78   29                                                      
CONECT   79   30                                                      
CONECT   80   32                                                      
CONECT   81   32                                                      
CONECT   82   34                                                      
CONECT   83   34                                                      
CONECT   84   35                                                      
CONECT   85   35                                                      
CONECT   86   36                                                      
CONECT   87   36                                                      
CONECT   88   37                                                      
CONECT   89   37                                                      
CONECT   90   39                                                      
CONECT   91   39                                                      
CONECT   92   40                                                      
CONECT   93   40                                                      
CONECT   94   41                                                      
CONECT   95   42                                                      
CONECT   96   42                                                      
CONECT   97   43                                                      
CONECT   98   43                                                      
CONECT   99   44                                                      
CONECT  100   44                                                      
CONECT  101   45                                                      
CONECT  102   45                                                      
CONECT  103   47                                                      
CONECT  104   47                                                      
CONECT  105   48                                                      
CONECT  106   48                                                      
CONECT  107   49                                                      
CONECT  108   49                                                      
CONECT  109   50                                                      
CONECT  110   50                                                      
MASTER        0    0    0    0    0    0    0    0  110    0  110    0
END
