COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -7.569  -1.822  -0.818  1.00  0.00           O  
HETATM    2  C   UNL     1      -7.411  -3.020  -0.832  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.606  -3.937  -0.810  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.020  -3.596  -0.877  1.00  0.00           C  
HETATM    5  O   UNL     1      -6.040  -4.839  -1.582  1.00  0.00           O  
HETATM    6  C   UNL     1      -5.514  -3.825   0.550  1.00  0.00           C  
HETATM    7  O   UNL     1      -6.422  -4.680   1.248  1.00  0.00           O  
HETATM    8  C   UNL     1      -5.424  -2.476   1.271  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.084  -2.618  -1.592  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.684  -3.228  -1.688  1.00  0.00           C  
HETATM   11  O   UNL     1      -5.021  -1.395  -0.855  1.00  0.00           O  
HETATM   12  C   UNL     1      -4.511  -1.541   0.474  1.00  0.00           C  
HETATM   13  O   UNL     1      -4.466  -0.262   1.111  1.00  0.00           O  
HETATM   14  C   UNL     1      -3.551   0.655   0.509  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.535   1.984   1.303  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.101   2.406   1.629  1.00  0.00           C  
HETATM   17  O   UNL     1      -4.318   1.875   2.493  1.00  0.00           O  
HETATM   18  C   UNL     1      -4.191   2.978   0.296  1.00  0.00           C  
HETATM   19  O   UNL     1      -5.092   2.093  -0.452  1.00  0.00           O  
HETATM   20  C   UNL     1      -4.073   1.087  -0.886  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.844   4.207   0.932  1.00  0.00           C  
HETATM   22  O   UNL     1      -5.404   5.032  -0.091  1.00  0.00           O  
HETATM   23  C   UNL     1      -5.689   6.368   0.331  1.00  0.00           C  
HETATM   24  O   UNL     1      -5.877   3.788   1.826  1.00  0.00           O  
HETATM   25  C   UNL     1      -6.278   4.790   2.762  1.00  0.00           C  
HETATM   26  O   UNL     1      -3.160   3.270  -0.684  1.00  0.00           O  
HETATM   27  C   UNL     1      -3.031   2.059  -1.492  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.637   1.520  -1.355  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.648   1.994  -2.220  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.011   3.021  -3.261  1.00  0.00           C  
HETATM   31  O   UNL     1      -2.271   0.078   0.437  1.00  0.00           O  
HETATM   32  C   UNL     1      -1.327   0.578  -0.403  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.002   0.096  -0.310  1.00  0.00           C  
HETATM   34  C   UNL     1       0.989   0.599  -1.185  1.00  0.00           C  
HETATM   35  C   UNL     1       0.636   1.549  -2.145  1.00  0.00           C  
HETATM   36  C   UNL     1       2.314   0.117  -1.097  1.00  0.00           C  
HETATM   37  O   UNL     1       3.265   0.600  -1.940  1.00  0.00           O  
HETATM   38  C   UNL     1       3.365  -0.016  -3.225  1.00  0.00           C  
HETATM   39  C   UNL     1       2.647  -0.828  -0.172  1.00  0.00           C  
HETATM   40  C   UNL     1       1.667  -1.331   0.709  1.00  0.00           C  
HETATM   41  C   UNL     1       0.347  -0.878   0.643  1.00  0.00           C  
HETATM   42  O   UNL     1      -0.588  -1.372   1.489  1.00  0.00           O  
HETATM   43  C   UNL     1       4.071  -1.314  -0.119  1.00  0.00           C  
HETATM   44  C   UNL     1       4.403  -1.901   1.250  1.00  0.00           C  
HETATM   45  C   UNL     1       3.388  -2.999   1.593  1.00  0.00           C  
HETATM   46  O   UNL     1       3.360  -3.977   0.552  1.00  0.00           O  
HETATM   47  C   UNL     1       2.030  -2.339   1.715  1.00  0.00           C  
HETATM   48  O   UNL     1       1.268  -2.632   2.612  1.00  0.00           O  
HETATM   49  O   UNL     1       4.950  -0.219  -0.385  1.00  0.00           O  
HETATM   50  C   UNL     1       6.134  -0.584  -1.097  1.00  0.00           C  
HETATM   51  O   UNL     1       7.015  -1.294  -0.224  1.00  0.00           O  
HETATM   52  C   UNL     1       7.406  -0.557   0.937  1.00  0.00           C  
HETATM   53  C   UNL     1       8.320  -1.422   1.806  1.00  0.00           C  
HETATM   54  C   UNL     1       8.156   0.707   0.507  1.00  0.00           C  
HETATM   55  C   UNL     1       7.255   1.538  -0.412  1.00  0.00           C  
HETATM   56  O   UNL     1       6.095   1.958   0.309  1.00  0.00           O  
HETATM   57  C   UNL     1       8.023   2.764  -0.909  1.00  0.00           C  
HETATM   58  C   UNL     1       6.832   0.679  -1.607  1.00  0.00           C  
HETATM   59  O   UNL     1       9.365   0.336  -0.205  1.00  0.00           O  
HETATM   60  C   UNL     1      10.478   0.171   0.528  1.00  0.00           C  
HETATM   61  O   UNL     1      10.442   0.332   1.725  1.00  0.00           O  
HETATM   62  C   UNL     1      11.771  -0.214  -0.142  1.00  0.00           C  
HETATM   63  H   UNL     1      -9.520  -3.343  -0.783  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.604  -4.559  -1.706  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.560  -4.573   0.074  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.349  -4.768  -2.495  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.527  -4.288   0.518  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.167  -4.862   2.163  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.418  -2.037   1.347  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.012  -2.624   2.270  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.463  -2.419  -2.595  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.732  -4.161  -2.249  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.018  -2.532  -2.197  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.305  -3.427  -0.685  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.506  -1.962   0.433  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.109   3.391   2.096  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.656   1.683   2.312  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.516   2.445   0.710  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.411   2.705   2.980  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.414   0.279  -1.534  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.093   4.772   1.485  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.861   6.743   0.933  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.820   7.004  -0.544  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.602   6.374   0.926  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.394   5.226   3.228  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.837   5.569   2.244  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.908   4.340   3.529  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.266   2.263  -2.537  1.00  0.00           H  
HETATM   89  H   UNL     1      -0.878   4.021  -2.847  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.367   2.899  -4.132  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.052   2.886  -3.557  1.00  0.00           H  
HETATM   92  H   UNL     1       1.380   1.930  -2.828  1.00  0.00           H  
HETATM   93  H   UNL     1       3.505  -1.091  -3.103  1.00  0.00           H  
HETATM   94  H   UNL     1       2.452   0.170  -3.790  1.00  0.00           H  
HETATM   95  H   UNL     1       4.216   0.401  -3.763  1.00  0.00           H  
HETATM   96  H   UNL     1      -0.670  -0.878   2.316  1.00  0.00           H  
HETATM   97  H   UNL     1       4.215  -2.080  -0.881  1.00  0.00           H  
HETATM   98  H   UNL     1       5.406  -2.327   1.229  1.00  0.00           H  
HETATM   99  H   UNL     1       4.358  -1.115   2.004  1.00  0.00           H  
HETATM  100  H   UNL     1       3.657  -3.470   2.538  1.00  0.00           H  
HETATM  101  H   UNL     1       2.737  -4.700   0.708  1.00  0.00           H  
HETATM  102  H   UNL     1       5.869  -1.220  -1.941  1.00  0.00           H  
HETATM  103  H   UNL     1       6.519  -0.278   1.506  1.00  0.00           H  
HETATM  104  H   UNL     1       9.207  -1.700   1.237  1.00  0.00           H  
HETATM  105  H   UNL     1       8.618  -0.860   2.691  1.00  0.00           H  
HETATM  106  H   UNL     1       7.787  -2.322   2.111  1.00  0.00           H  
HETATM  107  H   UNL     1       8.416   1.293   1.389  1.00  0.00           H  
HETATM  108  H   UNL     1       5.446   2.431  -0.231  1.00  0.00           H  
HETATM  109  H   UNL     1       8.906   2.441  -1.461  1.00  0.00           H  
HETATM  110  H   UNL     1       7.381   3.355  -1.563  1.00  0.00           H  
HETATM  111  H   UNL     1       8.330   3.371  -0.057  1.00  0.00           H  
HETATM  112  H   UNL     1       7.714   0.399  -2.185  1.00  0.00           H  
HETATM  113  H   UNL     1       6.147   1.244  -2.238  1.00  0.00           H  
HETATM  114  H   UNL     1      11.609  -0.314  -1.215  1.00  0.00           H  
HETATM  115  H   UNL     1      12.520   0.556   0.042  1.00  0.00           H  
HETATM  116  H   UNL     1      12.121  -1.164   0.262  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    1    1    4                                       
CONECT    3    2   63   64   65                                       
CONECT    4    6    2    5    9                                       
CONECT    5    4   66                                                 
CONECT    6    7    8    4   67                                       
CONECT    7    6   68                                                 
CONECT    8    6   12   69   70                                       
CONECT    9    4   11   10   71                                       
CONECT   10    9   72   73   74                                       
CONECT   11    9   12                                                 
CONECT   12    8   11   13   75                                       
CONECT   13   12   14                                                 
CONECT   14   15   13   31   20                                       
CONECT   15   17   16   18   14                                       
CONECT   16   15   76   77   78                                       
CONECT   17   15   79                                                 
CONECT   18   21   15   26   19                                       
CONECT   19   18   20                                                 
CONECT   20   14   19   27   80                                       
CONECT   21   24   22   18   81                                       
CONECT   22   21   23                                                 
CONECT   23   22   82   83   84                                       
CONECT   24   25   21                                                 
CONECT   25   24   85   86   87                                       
CONECT   26   18   27                                                 
CONECT   27   26   20   28   88                                       
CONECT   28   32   32   27   29                                       
CONECT   29   28   30   35   35                                       
CONECT   30   29   89   90   91                                       
CONECT   31   14   32                                                 
CONECT   32   31   28   28   33                                       
CONECT   33   32   41   34   34                                       
CONECT   34   33   33   35   36                                       
CONECT   35   29   29   34   92                                       
CONECT   36   39   39   34   37                                       
CONECT   37   36   38                                                 
CONECT   38   37   93   94   95                                       
CONECT   39   40   43   36   36                                       
CONECT   40   47   41   41   39                                       
CONECT   41   42   40   40   33                                       
CONECT   42   41   96                                                 
CONECT   43   49   39   44   97                                       
CONECT   44   45   43   98   99                                       
CONECT   45   47   46   44  100                                       
CONECT   46   45  101                                                 
CONECT   47   48   48   45   40                                       
CONECT   48   47   47                                                 
CONECT   49   50   43                                                 
CONECT   50   51   49   58  102                                       
CONECT   51   52   50                                                 
CONECT   52   51   53   54  103                                       
CONECT   53   52  104  105  106                                       
CONECT   54   52   55   59  107                                       
CONECT   55   56   54   58   57                                       
CONECT   56   55  108                                                 
CONECT   57   55  109  110  111                                       
CONECT   58   50   55  112  113                                       
CONECT   59   54   60                                                 
CONECT   60   62   59   61   61                                       
CONECT   61   60   60                                                 
CONECT   62   60  114  115  116                                       
CONECT   63    3                                                      
CONECT   64    3                                                      
CONECT   65    3                                                      
CONECT   66    5                                                      
CONECT   67    6                                                      
CONECT   68    7                                                      
CONECT   69    8                                                      
CONECT   70    8                                                      
CONECT   71    9                                                      
CONECT   72   10                                                      
CONECT   73   10                                                      
CONECT   74   10                                                      
CONECT   75   12                                                      
CONECT   76   16                                                      
CONECT   77   16                                                      
CONECT   78   16                                                      
CONECT   79   17                                                      
CONECT   80   20                                                      
CONECT   81   21                                                      
CONECT   82   23                                                      
CONECT   83   23                                                      
CONECT   84   23                                                      
CONECT   85   25                                                      
CONECT   86   25                                                      
CONECT   87   25                                                      
CONECT   88   27                                                      
CONECT   89   30                                                      
CONECT   90   30                                                      
CONECT   91   30                                                      
CONECT   92   35                                                      
CONECT   93   38                                                      
CONECT   94   38                                                      
CONECT   95   38                                                      
CONECT   96   42                                                      
CONECT   97   43                                                      
CONECT   98   44                                                      
CONECT   99   44                                                      
CONECT  100   45                                                      
CONECT  101   46                                                      
CONECT  102   50                                                      
CONECT  103   52                                                      
CONECT  104   53                                                      
CONECT  105   53                                                      
CONECT  106   53                                                      
CONECT  107   54                                                      
CONECT  108   56                                                      
CONECT  109   57                                                      
CONECT  110   57                                                      
CONECT  111   57                                                      
CONECT  112   58                                                      
CONECT  113   58                                                      
CONECT  114   62                                                      
CONECT  115   62                                                      
CONECT  116   62                                                      
MASTER        0    0    0    0    0    0    0    0  116    0  116    0
END
