COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.338   1.645   0.645  1.00  0.00           C  
HETATM    2  C   UNL     1       5.168  -3.030   1.244  1.00  0.00           C  
HETATM    3  C   UNL     1       9.635  -2.222  -0.645  1.00  0.00           C  
HETATM    4  C   UNL     1       8.829   2.529  -1.265  1.00  0.00           C  
HETATM    5  N   UNL     1       4.915  -0.668   0.849  1.00  0.00           N  
HETATM    6  C   UNL     1       4.058   0.329   0.969  1.00  0.00           C  
HETATM    7  C   UNL     1       2.747  -0.199   1.504  1.00  0.00           C  
HETATM    8  C   UNL     1       3.015  -1.711   1.657  1.00  0.00           C  
HETATM    9  C   UNL     1       4.467  -1.847   1.229  1.00  0.00           C  
HETATM   10  C   UNL     1       2.836  -2.147   3.113  1.00  0.00           C  
HETATM   11  C   UNL     1       1.615   0.051   0.505  1.00  0.00           C  
HETATM   12  C   UNL     1       0.282  -0.361   1.132  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.818  -0.220   0.112  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.561   0.170  -1.003  1.00  0.00           O  
HETATM   15  O   UNL     1      -2.082  -0.527   0.441  1.00  0.00           O  
HETATM   16  N   UNL     1       7.317  -2.194   0.279  1.00  0.00           N  
HETATM   17  C   UNL     1       6.493  -3.153   0.817  1.00  0.00           C  
HETATM   18  C   UNL     1       7.212  -4.356   0.902  1.00  0.00           C  
HETATM   19  C   UNL     1       8.473  -4.135   0.382  1.00  0.00           C  
HETATM   20  C   UNL     1       8.527  -2.773  -0.040  1.00  0.00           C  
HETATM   21  C   UNL     1       6.699  -5.657   1.464  1.00  0.00           C  
HETATM   22  C   UNL     1       9.561  -5.124   0.280  1.00  0.00           C  
HETATM   23  C   UNL     1      10.199  -5.295  -0.873  1.00  0.00           C  
HETATM   24  N   UNL     1       8.899   0.118  -0.846  1.00  0.00           N  
HETATM   25  C   UNL     1       9.748  -0.885  -1.057  1.00  0.00           C  
HETATM   26  C   UNL     1      10.852  -0.383  -1.808  1.00  0.00           C  
HETATM   27  C   UNL     1      10.641   0.944  -1.978  1.00  0.00           C  
HETATM   28  C   UNL     1       9.412   1.251  -1.342  1.00  0.00           C  
HETATM   29  C   UNL     1      12.028  -1.177  -2.314  1.00  0.00           C  
HETATM   30  C   UNL     1      11.541   1.909  -2.705  1.00  0.00           C  
HETATM   31  C   UNL     1      11.065   2.061  -4.151  1.00  0.00           C  
HETATM   32  N   UNL     1       6.778   1.593  -0.291  1.00  0.00           N  
HETATM   33  C   UNL     1       7.543   2.653  -0.748  1.00  0.00           C  
HETATM   34  C   UNL     1       6.806   3.826  -0.598  1.00  0.00           C  
HETATM   35  C   UNL     1       5.562   3.479  -0.062  1.00  0.00           C  
HETATM   36  C   UNL     1       5.557   2.078   0.116  1.00  0.00           C  
HETATM   37  C   UNL     1       7.266   5.217  -0.950  1.00  0.00           C  
HETATM   38  C   UNL     1       4.277   4.028   0.380  1.00  0.00           C  
HETATM   39  O   UNL     1       3.954   5.197   0.409  1.00  0.00           O  
HETATM   40  C   UNL     1       3.433   2.839   0.794  1.00  0.00           C  
HETATM   41  C   UNL     1       2.990   2.985   2.227  1.00  0.00           C  
HETATM   42  O   UNL     1       3.368   2.196   3.059  1.00  0.00           O  
HETATM   43  O   UNL     1       2.174   3.992   2.577  1.00  0.00           O  
HETATM   44  C   UNL     1       1.788   4.071   3.975  1.00  0.00           C  
HETATM   45  C   UNL     1      -3.090  -0.367  -0.592  1.00  0.00           C  
HETATM   46  C   UNL     1      -4.438  -0.756  -0.044  1.00  0.00           C  
HETATM   47  C   UNL     1      -5.246  -1.501  -0.758  1.00  0.00           C  
HETATM   48  C   UNL     1      -4.874  -1.877  -2.169  1.00  0.00           C  
HETATM   49  C   UNL     1      -6.546  -1.982  -0.167  1.00  0.00           C  
HETATM   50  C   UNL     1      -7.671  -1.024  -0.563  1.00  0.00           C  
HETATM   51  C   UNL     1      -8.992  -1.512   0.036  1.00  0.00           C  
HETATM   52  C   UNL     1     -10.117  -0.554  -0.359  1.00  0.00           C  
HETATM   53  C   UNL     1      -9.866   0.816   0.275  1.00  0.00           C  
HETATM   54  C   UNL     1     -11.455  -1.107   0.134  1.00  0.00           C  
HETATM   55  C   UNL     1     -12.592  -0.215  -0.368  1.00  0.00           C  
HETATM   56  C   UNL     1     -13.931  -0.768   0.125  1.00  0.00           C  
HETATM   57  C   UNL     1     -15.067   0.124  -0.377  1.00  0.00           C  
HETATM   58  C   UNL     1     -14.945   1.511   0.257  1.00  0.00           C  
HETATM   59  C   UNL     1     -16.412  -0.496   0.010  1.00  0.00           C  
HETATM   60  C   UNL     1     -17.548   0.329  -0.598  1.00  0.00           C  
HETATM   61  C   UNL     1     -18.892  -0.292  -0.212  1.00  0.00           C  
HETATM   62  C   UNL     1     -20.028   0.533  -0.820  1.00  0.00           C  
HETATM   63  C   UNL     1     -19.964   0.442  -2.346  1.00  0.00           C  
HETATM   64  C   UNL     1     -21.372  -0.013  -0.332  1.00  0.00           C  
HETATM   65  H   UNL     1       4.662  -3.924   1.610  1.00  0.00           H  
HETATM   66  H   UNL     1      10.493  -2.879  -0.816  1.00  0.00           H  
HETATM   67  H   UNL     1       9.370   3.398  -1.599  1.00  0.00           H  
HETATM   68  H   UNL     1       2.515   0.251   2.469  1.00  0.00           H  
HETATM   69  H   UNL     1       2.364  -2.287   1.000  1.00  0.00           H  
HETATM   70  H   UNL     1       1.816  -1.936   3.433  1.00  0.00           H  
HETATM   71  H   UNL     1       3.030  -3.217   3.198  1.00  0.00           H  
HETATM   72  H   UNL     1       3.536  -1.600   3.744  1.00  0.00           H  
HETATM   73  H   UNL     1       1.585   1.110   0.249  1.00  0.00           H  
HETATM   74  H   UNL     1       1.790  -0.536  -0.396  1.00  0.00           H  
HETATM   75  H   UNL     1       0.340  -1.398   1.462  1.00  0.00           H  
HETATM   76  H   UNL     1       0.069   0.282   1.987  1.00  0.00           H  
HETATM   77  H   UNL     1       6.236  -6.239   0.666  1.00  0.00           H  
HETATM   78  H   UNL     1       7.528  -6.220   1.891  1.00  0.00           H  
HETATM   79  H   UNL     1       5.960  -5.452   2.239  1.00  0.00           H  
HETATM   80  H   UNL     1       9.840  -5.711   1.143  1.00  0.00           H  
HETATM   81  H   UNL     1       9.921  -4.708  -1.736  1.00  0.00           H  
HETATM   82  H   UNL     1      10.996  -6.020  -0.947  1.00  0.00           H  
HETATM   83  H   UNL     1      11.917  -2.220  -2.019  1.00  0.00           H  
HETATM   84  H   UNL     1      12.072  -1.109  -3.401  1.00  0.00           H  
HETATM   85  H   UNL     1      12.948  -0.775  -1.888  1.00  0.00           H  
HETATM   86  H   UNL     1      11.509   2.879  -2.209  1.00  0.00           H  
HETATM   87  H   UNL     1      12.563   1.530  -2.697  1.00  0.00           H  
HETATM   88  H   UNL     1      11.096   1.091  -4.648  1.00  0.00           H  
HETATM   89  H   UNL     1      10.043   2.440  -4.160  1.00  0.00           H  
HETATM   90  H   UNL     1      11.716   2.759  -4.677  1.00  0.00           H  
HETATM   91  H   UNL     1       8.280   5.175  -1.348  1.00  0.00           H  
HETATM   92  H   UNL     1       6.598   5.642  -1.700  1.00  0.00           H  
HETATM   93  H   UNL     1       7.252   5.841  -0.056  1.00  0.00           H  
HETATM   94  H   UNL     1       2.568   2.743   0.138  1.00  0.00           H  
HETATM   95  H   UNL     1       1.129   4.927   4.122  1.00  0.00           H  
HETATM   96  H   UNL     1       1.265   3.158   4.259  1.00  0.00           H  
HETATM   97  H   UNL     1       2.678   4.187   4.592  1.00  0.00           H  
HETATM   98  H   UNL     1      -3.116   0.674  -0.916  1.00  0.00           H  
HETATM   99  H   UNL     1      -2.845  -1.006  -1.441  1.00  0.00           H  
HETATM  100  H   UNL     1      -4.739  -0.422   0.938  1.00  0.00           H  
HETATM  101  H   UNL     1      -4.338  -2.826  -2.163  1.00  0.00           H  
HETATM  102  H   UNL     1      -5.779  -1.974  -2.769  1.00  0.00           H  
HETATM  103  H   UNL     1      -4.236  -1.102  -2.595  1.00  0.00           H  
HETATM  104  H   UNL     1      -6.769  -2.980  -0.545  1.00  0.00           H  
HETATM  105  H   UNL     1      -6.462  -2.015   0.919  1.00  0.00           H  
HETATM  106  H   UNL     1      -7.448  -0.026  -0.185  1.00  0.00           H  
HETATM  107  H   UNL     1      -7.755  -0.991  -1.649  1.00  0.00           H  
HETATM  108  H   UNL     1      -9.215  -2.510  -0.341  1.00  0.00           H  
HETATM  109  H   UNL     1      -8.908  -1.545   1.123  1.00  0.00           H  
HETATM  110  H   UNL     1     -10.143  -0.452  -1.444  1.00  0.00           H  
HETATM  111  H   UNL     1      -8.913   1.210  -0.076  1.00  0.00           H  
HETATM  112  H   UNL     1     -10.668   1.499  -0.006  1.00  0.00           H  
HETATM  113  H   UNL     1      -9.840   0.714   1.360  1.00  0.00           H  
HETATM  114  H   UNL     1     -11.592  -2.119  -0.247  1.00  0.00           H  
HETATM  115  H   UNL     1     -11.462  -1.125   1.224  1.00  0.00           H  
HETATM  116  H   UNL     1     -12.455   0.797   0.013  1.00  0.00           H  
HETATM  117  H   UNL     1     -12.586  -0.197  -1.458  1.00  0.00           H  
HETATM  118  H   UNL     1     -14.068  -1.780  -0.256  1.00  0.00           H  
HETATM  119  H   UNL     1     -13.937  -0.786   1.215  1.00  0.00           H  
HETATM  120  H   UNL     1     -15.007   0.214  -1.461  1.00  0.00           H  
HETATM  121  H   UNL     1     -13.987   1.953  -0.018  1.00  0.00           H  
HETATM  122  H   UNL     1     -15.755   2.147  -0.100  1.00  0.00           H  
HETATM  123  H   UNL     1     -15.005   1.421   1.342  1.00  0.00           H  
HETATM  124  H   UNL     1     -16.462  -1.518  -0.367  1.00  0.00           H  
HETATM  125  H   UNL     1     -16.509  -0.504   1.095  1.00  0.00           H  
HETATM  126  H   UNL     1     -17.497   1.350  -0.221  1.00  0.00           H  
HETATM  127  H   UNL     1     -17.450   0.337  -1.684  1.00  0.00           H  
HETATM  128  H   UNL     1     -18.942  -1.313  -0.589  1.00  0.00           H  
HETATM  129  H   UNL     1     -18.989  -0.300   0.874  1.00  0.00           H  
HETATM  130  H   UNL     1     -19.926   1.574  -0.513  1.00  0.00           H  
HETATM  131  H   UNL     1     -20.066  -0.599  -2.652  1.00  0.00           H  
HETATM  132  H   UNL     1     -20.774   1.030  -2.779  1.00  0.00           H  
HETATM  133  H   UNL     1     -19.007   0.831  -2.693  1.00  0.00           H  
HETATM  134  H   UNL     1     -21.417   0.052   0.755  1.00  0.00           H  
HETATM  135  H   UNL     1     -22.181   0.575  -0.765  1.00  0.00           H  
HETATM  136  H   UNL     1     -21.474  -1.054  -0.639  1.00  0.00           H  
HETATM  137  H   UNL     1       7.085  -1.262   0.145  1.00  0.00           H  
HETATM  138  H   UNL     1       7.056   0.664  -0.264  1.00  0.00           H  
CONECT    1    6   36   36   40                                       
CONECT    2    9    9   17   65                                       
CONECT    3   20   25   25   66                                       
CONECT    4   28   33   33   67                                       
CONECT    5    6    6    9                                            
CONECT    6    1    5    5    7                                       
CONECT    7    6    8   11   68                                       
CONECT    8    7    9   10   69                                       
CONECT    9    2    2    5    8                                       
CONECT   10    8   70   71   72                                       
CONECT   11    7   12   73   74                                       
CONECT   12   11   13   75   76                                       
CONECT   13   12   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   45                                                 
CONECT   16  137   17   20                                            
CONECT   17    2   16   18   18                                       
CONECT   18   17   17   19   21                                       
CONECT   19   18   20   20   22                                       
CONECT   20    3   16   19   19                                       
CONECT   21   18   77   78   79                                       
CONECT   22   19   23   23   80                                       
CONECT   23   22   22   81   82                                       
CONECT   24   25   28   28                                            
CONECT   25    3    3   24   26                                       
CONECT   26   25   27   27   29                                       
CONECT   27   26   26   28   30                                       
CONECT   28    4   24   24   27                                       
CONECT   29   26   83   84   85                                       
CONECT   30   27   31   86   87                                       
CONECT   31   30   88   89   90                                       
CONECT   32  138   33   36                                            
CONECT   33    4    4   32   34                                       
CONECT   34   33   35   35   37                                       
CONECT   35   34   34   36   38                                       
CONECT   36    1    1   32   35                                       
CONECT   37   34   91   92   93                                       
CONECT   38   35   39   39   40                                       
CONECT   39   38   38                                                 
CONECT   40    1   38   41   94                                       
CONECT   41   40   42   42   43                                       
CONECT   42   41   41                                                 
CONECT   43   41   44                                                 
CONECT   44   43   95   96   97                                       
CONECT   45   15   46   98   99                                       
CONECT   46   45   47   47  100                                       
CONECT   47   46   46   48   49                                       
CONECT   48   47  101  102  103                                       
CONECT   49   47   50  104  105                                       
CONECT   50   49   51  106  107                                       
CONECT   51   50   52  108  109                                       
CONECT   52   51   53   54  110                                       
CONECT   53   52  111  112  113                                       
CONECT   54   52   55  114  115                                       
CONECT   55   54   56  116  117                                       
CONECT   56   55   57  118  119                                       
CONECT   57   56   58   59  120                                       
CONECT   58   57  121  122  123                                       
CONECT   59   57   60  124  125                                       
CONECT   60   59   61  126  127                                       
CONECT   61   60   62  128  129                                       
CONECT   62   61   63   64  130                                       
CONECT   63   62  131  132  133                                       
CONECT   64   62  134  135  136                                       
CONECT   65    2                                                      
CONECT   66    3                                                      
CONECT   67    4                                                      
CONECT   68    7                                                      
CONECT   69    8                                                      
CONECT   70   10                                                      
CONECT   71   10                                                      
CONECT   72   10                                                      
CONECT   73   11                                                      
CONECT   74   11                                                      
CONECT   75   12                                                      
CONECT   76   12                                                      
CONECT   77   21                                                      
CONECT   78   21                                                      
CONECT   79   21                                                      
CONECT   80   22                                                      
CONECT   81   23                                                      
CONECT   82   23                                                      
CONECT   83   29                                                      
CONECT   84   29                                                      
CONECT   85   29                                                      
CONECT   86   30                                                      
CONECT   87   30                                                      
CONECT   88   31                                                      
CONECT   89   31                                                      
CONECT   90   31                                                      
CONECT   91   37                                                      
CONECT   92   37                                                      
CONECT   93   37                                                      
CONECT   94   40                                                      
CONECT   95   44                                                      
CONECT   96   44                                                      
CONECT   97   44                                                      
CONECT   98   45                                                      
CONECT   99   45                                                      
CONECT  100   46                                                      
CONECT  101   48                                                      
CONECT  102   48                                                      
CONECT  103   48                                                      
CONECT  104   49                                                      
CONECT  105   49                                                      
CONECT  106   50                                                      
CONECT  107   50                                                      
CONECT  108   51                                                      
CONECT  109   51                                                      
CONECT  110   52                                                      
CONECT  111   53                                                      
CONECT  112   53                                                      
CONECT  113   53                                                      
CONECT  114   54                                                      
CONECT  115   54                                                      
CONECT  116   55                                                      
CONECT  117   55                                                      
CONECT  118   56                                                      
CONECT  119   56                                                      
CONECT  120   57                                                      
CONECT  121   58                                                      
CONECT  122   58                                                      
CONECT  123   58                                                      
CONECT  124   59                                                      
CONECT  125   59                                                      
CONECT  126   60                                                      
CONECT  127   60                                                      
CONECT  128   61                                                      
CONECT  129   61                                                      
CONECT  130   62                                                      
CONECT  131   63                                                      
CONECT  132   63                                                      
CONECT  133   63                                                      
CONECT  134   64                                                      
CONECT  135   64                                                      
CONECT  136   64                                                      
CONECT  137   16                                                      
CONECT  138   32                                                      
MASTER        0    0    0    0    0    0    0    0  138    0  138    0
END
