COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.411  -3.184  -2.464  1.00  0.00           C  
HETATM    2  O   UNL     1       3.370  -3.879  -1.665  1.00  0.00           O  
HETATM    3  C   UNL     1       2.985  -1.828  -2.883  1.00  0.00           C  
HETATM    4  O   UNL     1       3.963   0.206  -2.011  1.00  0.00           O  
HETATM    5  C   UNL     1       3.358  -1.031  -1.629  1.00  0.00           C  
HETATM    6  O   UNL     1       4.648  -1.146   0.414  1.00  0.00           O  
HETATM    7  C   UNL     1       4.348  -1.849  -0.794  1.00  0.00           C  
HETATM    8  O   UNL     1       2.007  -1.106  -3.634  1.00  0.00           O  
HETATM    9  C   UNL     1       3.721  -3.204  -0.456  1.00  0.00           C  
HETATM   10  O   UNL     1       1.450  -5.227  -3.326  1.00  0.00           O  
HETATM   11  C   UNL     1       2.091  -4.010  -3.712  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.753  -4.084   2.336  1.00  0.00           O  
HETATM   13  O   UNL     1      -0.250  -3.227   0.960  1.00  0.00           O  
HETATM   14  C   UNL     1     -12.375   5.816  -2.495  1.00  0.00           C  
HETATM   15  O   UNL     1       2.549  -3.002   0.336  1.00  0.00           O  
HETATM   16  C   UNL     1     -12.642   4.368  -2.079  1.00  0.00           C  
HETATM   17  O   UNL     1       1.847  -1.738   2.265  1.00  0.00           O  
HETATM   18  C   UNL     1     -11.417   3.811  -1.352  1.00  0.00           C  
HETATM   19  O   UNL     1       2.391  -1.054   4.295  1.00  0.00           O  
HETATM   20  C   UNL     1     -11.685   2.363  -0.937  1.00  0.00           C  
HETATM   21  C   UNL     1     -10.459   1.806  -0.210  1.00  0.00           C  
HETATM   22  C   UNL     1     -10.727   0.358   0.206  1.00  0.00           C  
HETATM   23  C   UNL     1      -9.502  -0.199   0.932  1.00  0.00           C  
HETATM   24  C   UNL     1      -9.766  -1.625   1.342  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.920  -2.569   1.009  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.609  -2.212   0.358  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.461  -2.857   1.137  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.129  -2.494   0.476  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.981  -3.138   1.254  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.650  -2.775   0.593  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.518  -3.410   1.360  1.00  0.00           C  
HETATM   32  C   UNL     1       0.788  -3.869   1.747  1.00  0.00           C  
HETATM   33  C   UNL     1       1.975  -4.209   0.843  1.00  0.00           C  
HETATM   34  C   UNL     1       1.247  -2.920   2.856  1.00  0.00           C  
HETATM   35  C   UNL     1       2.362  -0.829   3.108  1.00  0.00           C  
HETATM   36  C   UNL     1       2.903   0.472   2.575  1.00  0.00           C  
HETATM   37  C   UNL     1       3.298   1.377   3.743  1.00  0.00           C  
HETATM   38  C   UNL     1       3.733   2.743   3.206  1.00  0.00           C  
HETATM   39  C   UNL     1       4.013   3.685   4.378  1.00  0.00           C  
HETATM   40  C   UNL     1       4.448   5.051   3.841  1.00  0.00           C  
HETATM   41  C   UNL     1       4.729   5.994   5.013  1.00  0.00           C  
HETATM   42  C   UNL     1       1.735   2.666  -0.525  1.00  0.00           C  
HETATM   43  O   UNL     1       2.209   1.589  -1.336  1.00  0.00           O  
HETATM   44  C   UNL     1       2.474   3.953  -0.904  1.00  0.00           C  
HETATM   45  N   UNL     1       2.184   4.290  -2.304  1.00  0.00           N  
HETATM   46  O   UNL     1       4.683   4.908  -1.152  1.00  0.00           O  
HETATM   47  C   UNL     1       3.980   3.737  -0.731  1.00  0.00           C  
HETATM   48  C   UNL     1       4.416   2.543  -1.586  1.00  0.00           C  
HETATM   49  N   UNL     1       5.841   2.280  -1.371  1.00  0.00           N  
HETATM   50  C   UNL     1       3.602   1.311  -1.180  1.00  0.00           C  
HETATM   51  C   UNL     1       0.234   2.854  -0.752  1.00  0.00           C  
HETATM   52  C   UNL     1       6.563   1.658  -2.324  1.00  0.00           C  
HETATM   53  O   UNL     1       6.032   1.315  -3.359  1.00  0.00           O  
HETATM   54  C   UNL     1       8.029   1.388  -2.103  1.00  0.00           C  
HETATM   55  H   UNL     1       1.499  -3.030  -1.887  1.00  0.00           H  
HETATM   56  H   UNL     1       3.874  -1.982  -3.495  1.00  0.00           H  
HETATM   57  H   UNL     1       2.461  -0.832  -1.043  1.00  0.00           H  
HETATM   58  H   UNL     1       5.270  -1.607   0.993  1.00  0.00           H  
HETATM   59  H   UNL     1       5.265  -2.002  -1.363  1.00  0.00           H  
HETATM   60  H   UNL     1       1.720  -1.555  -4.441  1.00  0.00           H  
HETATM   61  H   UNL     1       4.438  -3.806   0.102  1.00  0.00           H  
HETATM   62  H   UNL     1       1.218  -5.802  -4.068  1.00  0.00           H  
HETATM   63  H   UNL     1       1.429  -3.441  -4.364  1.00  0.00           H  
HETATM   64  H   UNL     1       3.015  -4.239  -4.243  1.00  0.00           H  
HETATM   65  H   UNL     1     -11.512   5.849  -3.160  1.00  0.00           H  
HETATM   66  H   UNL     1     -13.248   6.213  -3.013  1.00  0.00           H  
HETATM   67  H   UNL     1     -12.173   6.417  -1.608  1.00  0.00           H  
HETATM   68  H   UNL     1     -13.505   4.335  -1.414  1.00  0.00           H  
HETATM   69  H   UNL     1     -12.844   3.767  -2.966  1.00  0.00           H  
HETATM   70  H   UNL     1     -10.554   3.844  -2.018  1.00  0.00           H  
HETATM   71  H   UNL     1     -11.215   4.412  -0.466  1.00  0.00           H  
HETATM   72  H   UNL     1     -12.548   2.330  -0.272  1.00  0.00           H  
HETATM   73  H   UNL     1     -11.886   1.762  -1.824  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.596   1.839  -0.875  1.00  0.00           H  
HETATM   75  H   UNL     1     -10.258   2.407   0.676  1.00  0.00           H  
HETATM   76  H   UNL     1     -11.590   0.325   0.871  1.00  0.00           H  
HETATM   77  H   UNL     1     -10.928  -0.243  -0.681  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.639  -0.166   0.267  1.00  0.00           H  
HETATM   79  H   UNL     1      -9.300   0.402   1.819  1.00  0.00           H  
HETATM   80  H   UNL     1     -10.651  -1.869   1.909  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.163  -3.604   1.202  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.602  -2.577  -0.669  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.486  -1.129   0.359  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.468  -2.491   2.164  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.584  -3.940   1.135  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.122  -2.859  -0.551  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.006  -1.411   0.477  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.988  -2.773   2.281  1.00  0.00           H  
HETATM   89  H   UNL     1      -4.104  -4.221   1.253  1.00  0.00           H  
HETATM   90  H   UNL     1      -2.642  -3.141  -0.434  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.527  -1.692   0.595  1.00  0.00           H  
HETATM   92  H   UNL     1       0.395  -4.784   2.190  1.00  0.00           H  
HETATM   93  H   UNL     1       1.635  -4.826   0.012  1.00  0.00           H  
HETATM   94  H   UNL     1       2.725  -4.753   1.418  1.00  0.00           H  
HETATM   95  H   UNL     1       1.981  -3.425   3.485  1.00  0.00           H  
HETATM   96  H   UNL     1       0.389  -2.628   3.462  1.00  0.00           H  
HETATM   97  H   UNL     1       3.779   0.275   1.956  1.00  0.00           H  
HETATM   98  H   UNL     1       2.138   0.965   1.975  1.00  0.00           H  
HETATM   99  H   UNL     1       2.444   1.504   4.409  1.00  0.00           H  
HETATM  100  H   UNL     1       4.123   0.923   4.292  1.00  0.00           H  
HETATM  101  H   UNL     1       4.636   2.627   2.608  1.00  0.00           H  
HETATM  102  H   UNL     1       2.938   3.159   2.587  1.00  0.00           H  
HETATM  103  H   UNL     1       3.109   3.801   4.976  1.00  0.00           H  
HETATM  104  H   UNL     1       4.808   3.269   4.997  1.00  0.00           H  
HETATM  105  H   UNL     1       5.352   4.935   3.243  1.00  0.00           H  
HETATM  106  H   UNL     1       3.654   5.467   3.222  1.00  0.00           H  
HETATM  107  H   UNL     1       5.039   6.966   4.631  1.00  0.00           H  
HETATM  108  H   UNL     1       3.825   6.109   5.611  1.00  0.00           H  
HETATM  109  H   UNL     1       5.523   5.577   5.632  1.00  0.00           H  
HETATM  110  H   UNL     1       1.918   2.438   0.525  1.00  0.00           H  
HETATM  111  H   UNL     1       2.145   4.766  -0.257  1.00  0.00           H  
HETATM  112  H   UNL     1       1.195   4.432  -2.444  1.00  0.00           H  
HETATM  113  H   UNL     1       2.711   5.099  -2.597  1.00  0.00           H  
HETATM  114  H   UNL     1       4.451   5.705  -0.657  1.00  0.00           H  
HETATM  115  H   UNL     1       4.202   3.536   0.317  1.00  0.00           H  
HETATM  116  H   UNL     1       4.241   2.765  -2.638  1.00  0.00           H  
HETATM  117  H   UNL     1       6.265   2.555  -0.543  1.00  0.00           H  
HETATM  118  H   UNL     1       3.809   1.065  -0.139  1.00  0.00           H  
HETATM  119  H   UNL     1      -0.292   1.938  -0.483  1.00  0.00           H  
HETATM  120  H   UNL     1      -0.127   3.676  -0.133  1.00  0.00           H  
HETATM  121  H   UNL     1       0.051   3.083  -1.802  1.00  0.00           H  
HETATM  122  H   UNL     1       8.152   0.413  -1.630  1.00  0.00           H  
HETATM  123  H   UNL     1       8.548   1.395  -3.061  1.00  0.00           H  
HETATM  124  H   UNL     1       8.447   2.160  -1.457  1.00  0.00           H  
CONECT    1    2    3   11   55                                       
CONECT    2    1    9                                                 
CONECT    3    1    5    8   56                                       
CONECT    4    5   50                                                 
CONECT    5    3    4    7   57                                       
CONECT    6    7   58                                                 
CONECT    7    5    6    9   59                                       
CONECT    8    3   60                                                 
CONECT    9    2    7   15   61                                       
CONECT   10   11   62                                                 
CONECT   11    1   10   63   64                                       
CONECT   12   31   31                                                 
CONECT   13   31   32                                                 
CONECT   14   16   65   66   67                                       
CONECT   15    9   33                                                 
CONECT   16   14   18   68   69                                       
CONECT   17   34   35                                                 
CONECT   18   16   20   70   71                                       
CONECT   19   35   35                                                 
CONECT   20   18   21   72   73                                       
CONECT   21   20   22   74   75                                       
CONECT   22   21   23   76   77                                       
CONECT   23   22   24   78   79                                       
CONECT   24   23   25   25   80                                       
CONECT   25   24   24   26   81                                       
CONECT   26   25   27   82   83                                       
CONECT   27   26   28   84   85                                       
CONECT   28   27   29   86   87                                       
CONECT   29   28   30   88   89                                       
CONECT   30   29   31   90   91                                       
CONECT   31   12   12   13   30                                       
CONECT   32   13   33   34   92                                       
CONECT   33   15   32   93   94                                       
CONECT   34   17   32   95   96                                       
CONECT   35   17   19   19   36                                       
CONECT   36   35   37   97   98                                       
CONECT   37   36   38   99  100                                       
CONECT   38   37   39  101  102                                       
CONECT   39   38   40  103  104                                       
CONECT   40   39   41  105  106                                       
CONECT   41   40  107  108  109                                       
CONECT   42   43   44   51  110                                       
CONECT   43   42   50                                                 
CONECT   44   42   45   47  111                                       
CONECT   45   44  112  113                                            
CONECT   46   47  114                                                 
CONECT   47   44   46   48  115                                       
CONECT   48   47   49   50  116                                       
CONECT   49   48   52  117                                            
CONECT   50    4   43   48  118                                       
CONECT   51   42  119  120  121                                       
CONECT   52   49   53   53   54                                       
CONECT   53   52   52                                                 
CONECT   54   52  122  123  124                                       
CONECT   55    1                                                      
CONECT   56    3                                                      
CONECT   57    5                                                      
CONECT   58    6                                                      
CONECT   59    7                                                      
CONECT   60    8                                                      
CONECT   61    9                                                      
CONECT   62   10                                                      
CONECT   63   11                                                      
CONECT   64   11                                                      
CONECT   65   14                                                      
CONECT   66   14                                                      
CONECT   67   14                                                      
CONECT   68   16                                                      
CONECT   69   16                                                      
CONECT   70   18                                                      
CONECT   71   18                                                      
CONECT   72   20                                                      
CONECT   73   20                                                      
CONECT   74   21                                                      
CONECT   75   21                                                      
CONECT   76   22                                                      
CONECT   77   22                                                      
CONECT   78   23                                                      
CONECT   79   23                                                      
CONECT   80   24                                                      
CONECT   81   25                                                      
CONECT   82   26                                                      
CONECT   83   26                                                      
CONECT   84   27                                                      
CONECT   85   27                                                      
CONECT   86   28                                                      
CONECT   87   28                                                      
CONECT   88   29                                                      
CONECT   89   29                                                      
CONECT   90   30                                                      
CONECT   91   30                                                      
CONECT   92   32                                                      
CONECT   93   33                                                      
CONECT   94   33                                                      
CONECT   95   34                                                      
CONECT   96   34                                                      
CONECT   97   36                                                      
CONECT   98   36                                                      
CONECT   99   37                                                      
CONECT  100   37                                                      
CONECT  101   38                                                      
CONECT  102   38                                                      
CONECT  103   39                                                      
CONECT  104   39                                                      
CONECT  105   40                                                      
CONECT  106   40                                                      
CONECT  107   41                                                      
CONECT  108   41                                                      
CONECT  109   41                                                      
CONECT  110   42                                                      
CONECT  111   44                                                      
CONECT  112   45                                                      
CONECT  113   45                                                      
CONECT  114   46                                                      
CONECT  115   47                                                      
CONECT  116   48                                                      
CONECT  117   49                                                      
CONECT  118   50                                                      
CONECT  119   51                                                      
CONECT  120   51                                                      
CONECT  121   51                                                      
CONECT  122   54                                                      
CONECT  123   54                                                      
CONECT  124   54                                                      
MASTER        0    0    0    0    0    0    0    0  124    0  124    0
END
