COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.689   1.231  -0.309  1.00  0.00           C  
HETATM    2  O   UNL     1       5.752   0.972  -1.495  1.00  0.00           O  
HETATM    3  O   UNL     1       6.671   1.942   0.277  1.00  0.00           O  
HETATM    4  C   UNL     1       7.775   2.361  -0.567  1.00  0.00           C  
HETATM    5  C   UNL     1       8.769   3.140   0.256  1.00  0.00           C  
HETATM    6  C   UNL     1       8.640   4.510   0.381  1.00  0.00           C  
HETATM    7  C   UNL     1       9.552   5.225   1.136  1.00  0.00           C  
HETATM    8  C   UNL     1      10.592   4.568   1.766  1.00  0.00           C  
HETATM    9  C   UNL     1      10.720   3.197   1.642  1.00  0.00           C  
HETATM   10  C   UNL     1       9.806   2.483   0.891  1.00  0.00           C  
HETATM   11  N   UNL     1       4.635   0.811   0.418  1.00  0.00           N  
HETATM   12  C   UNL     1       3.567   0.036  -0.220  1.00  0.00           C  
HETATM   13  C   UNL     1       3.954  -1.444  -0.243  1.00  0.00           C  
HETATM   14  C   UNL     1       5.182  -1.636  -1.135  1.00  0.00           C  
HETATM   15  C   UNL     1       2.288   0.209   0.558  1.00  0.00           C  
HETATM   16  O   UNL     1       5.543  -3.018  -1.157  1.00  0.00           O  
HETATM   17  N   UNL     1       6.674  -3.305  -1.959  1.00  0.00           N  
HETATM   18  C   UNL     1       7.129  -4.598  -2.068  1.00  0.00           C  
HETATM   19  N   UNL     1       6.520  -5.559  -1.433  1.00  0.00           N  
HETATM   20  N   UNL     1       8.228  -4.877  -2.847  1.00  0.00           N  
HETATM   21  O   UNL     1       2.270   0.910   1.548  1.00  0.00           O  
HETATM   22  N   UNL     1       1.164  -0.415   0.154  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.079  -0.247   0.910  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.973  -1.438   0.679  1.00  0.00           C  
HETATM   25  O   UNL     1      -0.607  -2.339  -0.046  1.00  0.00           O  
HETATM   26  C   UNL     1      -0.792   1.024   0.444  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.114   0.910  -1.048  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.827   2.181  -1.514  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.920   3.390  -1.279  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.598   3.504   0.212  1.00  0.00           C  
HETATM   31  C   UNL     1       0.115   2.233   0.679  1.00  0.00           C  
HETATM   32  N   UNL     1      -2.178  -1.503   1.278  1.00  0.00           N  
HETATM   33  C   UNL     1      -3.094  -2.603   0.965  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.808  -3.784   1.895  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.690  -4.970   1.498  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.278  -5.469   0.111  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.517  -6.097   2.518  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.538  -2.136   1.162  1.00  0.00           C  
HETATM   39  O   UNL     1      -4.727  -1.731   2.519  1.00  0.00           O  
HETATM   40  C   UNL     1      -4.823  -0.955   0.232  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.278  -0.575   0.336  1.00  0.00           C  
HETATM   42  O   UNL     1      -7.014  -1.188   1.080  1.00  0.00           O  
HETATM   43  C   UNL     1      -9.915   2.379  -1.124  1.00  0.00           C  
HETATM   44  C   UNL     1     -10.319   3.315  -0.190  1.00  0.00           C  
HETATM   45  C   UNL     1     -11.653   3.668  -0.099  1.00  0.00           C  
HETATM   46  C   UNL     1     -12.581   3.086  -0.942  1.00  0.00           C  
HETATM   47  C   UNL     1     -12.176   2.150  -1.876  1.00  0.00           C  
HETATM   48  C   UNL     1     -10.843   1.797  -1.967  1.00  0.00           C  
HETATM   49  C   UNL     1      -8.460   1.998  -1.228  1.00  0.00           C  
HETATM   50  C   UNL     1      -8.175   0.817  -0.298  1.00  0.00           C  
HETATM   51  N   UNL     1      -6.761   0.447  -0.399  1.00  0.00           N  
HETATM   52  H   UNL     1       8.263   1.483  -0.990  1.00  0.00           H  
HETATM   53  H   UNL     1       7.398   2.991  -1.373  1.00  0.00           H  
HETATM   54  H   UNL     1       7.827   5.023  -0.112  1.00  0.00           H  
HETATM   55  H   UNL     1       9.451   6.295   1.233  1.00  0.00           H  
HETATM   56  H   UNL     1      11.305   5.126   2.355  1.00  0.00           H  
HETATM   57  H   UNL     1      11.533   2.684   2.135  1.00  0.00           H  
HETATM   58  H   UNL     1       9.905   1.411   0.797  1.00  0.00           H  
HETATM   59  H   UNL     1       4.583   1.021   1.363  1.00  0.00           H  
HETATM   60  H   UNL     1       3.422   0.390  -1.241  1.00  0.00           H  
HETATM   61  H   UNL     1       4.186  -1.774   0.770  1.00  0.00           H  
HETATM   62  H   UNL     1       3.124  -2.030  -0.636  1.00  0.00           H  
HETATM   63  H   UNL     1       4.951  -1.305  -2.148  1.00  0.00           H  
HETATM   64  H   UNL     1       6.012  -1.049  -0.742  1.00  0.00           H  
HETATM   65  H   UNL     1       7.128  -2.590  -2.432  1.00  0.00           H  
HETATM   66  H   UNL     1       5.745  -5.363  -0.883  1.00  0.00           H  
HETATM   67  H   UNL     1       8.549  -5.789  -2.924  1.00  0.00           H  
HETATM   68  H   UNL     1       8.681  -4.162  -3.319  1.00  0.00           H  
HETATM   69  H   UNL     1       1.178  -0.975  -0.637  1.00  0.00           H  
HETATM   70  H   UNL     1       0.150  -0.166   1.973  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.717   1.149   1.007  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.189   0.785  -1.610  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.760   0.048  -1.215  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.056   2.099  -2.577  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.752   2.306  -0.951  1.00  0.00           H  
HETATM   76  H   UNL     1       0.005   3.265  -1.842  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.428   4.295  -1.611  1.00  0.00           H  
HETATM   78  H   UNL     1       0.048   4.366   0.380  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.523   3.629   0.775  1.00  0.00           H  
HETATM   80  H   UNL     1       0.344   2.315   1.742  1.00  0.00           H  
HETATM   81  H   UNL     1       1.040   2.108   0.116  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.440  -0.821   1.916  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.950  -2.912  -0.070  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.759  -4.067   1.811  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.027  -3.498   2.924  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.733  -4.656   1.476  1.00  0.00           H  
HETATM   87  H   UNL     1      -2.256  -5.844   0.149  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.948  -6.271  -0.200  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.338  -4.648  -0.603  1.00  0.00           H  
HETATM   90  H   UNL     1      -3.810  -5.742   3.505  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.145  -6.942   2.235  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.474  -6.411   2.539  1.00  0.00           H  
HETATM   93  H   UNL     1      -5.219  -2.955   0.929  1.00  0.00           H  
HETATM   94  H   UNL     1      -4.152  -1.004   2.796  1.00  0.00           H  
HETATM   95  H   UNL     1      -4.204  -0.106   0.522  1.00  0.00           H  
HETATM   96  H   UNL     1      -4.594  -1.238  -0.795  1.00  0.00           H  
HETATM   97  H   UNL     1      -9.594   3.769   0.468  1.00  0.00           H  
HETATM   98  H   UNL     1     -11.969   4.398   0.631  1.00  0.00           H  
HETATM   99  H   UNL     1     -13.623   3.362  -0.870  1.00  0.00           H  
HETATM  100  H   UNL     1     -12.902   1.695  -2.534  1.00  0.00           H  
HETATM  101  H   UNL     1     -10.527   1.066  -2.696  1.00  0.00           H  
HETATM  102  H   UNL     1      -8.231   1.716  -2.255  1.00  0.00           H  
HETATM  103  H   UNL     1      -7.841   2.847  -0.937  1.00  0.00           H  
HETATM  104  H   UNL     1      -8.404   1.100   0.729  1.00  0.00           H  
HETATM  105  H   UNL     1      -8.794  -0.032  -0.588  1.00  0.00           H  
HETATM  106  H   UNL     1      -6.172   0.938  -0.994  1.00  0.00           H  
CONECT    1   11    3    2    2                                       
CONECT    2    1    1                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5   52   53                                       
CONECT    5    4   10   10    6                                       
CONECT    6    5    7    7   54                                       
CONECT    7    6    6    8   55                                       
CONECT    8    7    9    9   56                                       
CONECT    9    8    8   10   57                                       
CONECT   10    5    5    9   58                                       
CONECT   11   12    1   59                                            
CONECT   12   15   13   11   60                                       
CONECT   13   12   14   62   61                                       
CONECT   14   13   16   64   63                                       
CONECT   15   22   21   21   12                                       
CONECT   16   14   17                                                 
CONECT   17   18   16   65                                            
CONECT   18   20   17   19   19                                       
CONECT   19   18   18   66                                            
CONECT   20   18   68   67                                            
CONECT   21   15   15                                                 
CONECT   22   15   23   69                                            
CONECT   23   24   26   22   70                                       
CONECT   24   23   32   25   25                                       
CONECT   25   24   24                                                 
CONECT   26   27   23   31   71                                       
CONECT   27   26   28   73   72                                       
CONECT   28   27   29   75   74                                       
CONECT   29   30   28   76   77                                       
CONECT   30   31   29   78   79                                       
CONECT   31   26   30   80   81                                       
CONECT   32   33   24   82                                            
CONECT   33   38   34   32   83                                       
CONECT   34   33   35   84   85                                       
CONECT   35   34   36   37   86                                       
CONECT   36   35   87   89   88                                       
CONECT   37   35   90   92   91                                       
CONECT   38   33   40   39   93                                       
CONECT   39   38   94                                                 
CONECT   40   38   41   95   96                                       
CONECT   41   40   51   42   42                                       
CONECT   42   41   41                                                 
CONECT   43   49   44   44   48                                       
CONECT   44   43   43   45   97                                       
CONECT   45   44   46   46   98                                       
CONECT   46   47   45   45   99                                       
CONECT   47   48   48   46  100                                       
CONECT   48   43   47   47  101                                       
CONECT   49   43   50  102  103                                       
CONECT   50   49   51  104  105                                       
CONECT   51   41   50  106                                            
CONECT   52    4                                                      
CONECT   53    4                                                      
CONECT   54    6                                                      
CONECT   55    7                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58   10                                                      
CONECT   59   11                                                      
CONECT   60   12                                                      
CONECT   61   13                                                      
CONECT   62   13                                                      
CONECT   63   14                                                      
CONECT   64   14                                                      
CONECT   65   17                                                      
CONECT   66   19                                                      
CONECT   67   20                                                      
CONECT   68   20                                                      
CONECT   69   22                                                      
CONECT   70   23                                                      
CONECT   71   26                                                      
CONECT   72   27                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   28                                                      
CONECT   76   29                                                      
CONECT   77   29                                                      
CONECT   78   30                                                      
CONECT   79   30                                                      
CONECT   80   31                                                      
CONECT   81   31                                                      
CONECT   82   32                                                      
CONECT   83   33                                                      
CONECT   84   34                                                      
CONECT   85   34                                                      
CONECT   86   35                                                      
CONECT   87   36                                                      
CONECT   88   36                                                      
CONECT   89   36                                                      
CONECT   90   37                                                      
CONECT   91   37                                                      
CONECT   92   37                                                      
CONECT   93   38                                                      
CONECT   94   39                                                      
CONECT   95   40                                                      
CONECT   96   40                                                      
CONECT   97   44                                                      
CONECT   98   45                                                      
CONECT   99   46                                                      
CONECT  100   47                                                      
CONECT  101   48                                                      
CONECT  102   49                                                      
CONECT  103   49                                                      
CONECT  104   50                                                      
CONECT  105   50                                                      
CONECT  106   51                                                      
MASTER        0    0    0    0    0    0    0    0  106    0  106    0
END
