COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.701   5.426  -0.370  1.00  0.00           C  
HETATM    2  C   UNL     1       2.447   6.220  -1.370  1.00  0.00           C  
HETATM    3  C   UNL     1       4.468   4.359   2.066  1.00  0.00           C  
HETATM    4  C   UNL     1       4.830   2.915   1.834  1.00  0.00           C  
HETATM    5  C   UNL     1       4.467   2.002   2.701  1.00  0.00           C  
HETATM    6  C   UNL     1       3.810   2.409   3.994  1.00  0.00           C  
HETATM    7  C   UNL     1       4.706   0.544   2.404  1.00  0.00           C  
HETATM    8  C   UNL     1       6.025   0.103   3.042  1.00  0.00           C  
HETATM    9  C   UNL     1       6.264  -1.355   2.745  1.00  0.00           C  
HETATM   10  C   UNL     1       7.330  -1.721   2.076  1.00  0.00           C  
HETATM   11  C   UNL     1       8.250  -0.678   1.495  1.00  0.00           C  
HETATM   12  C   UNL     1       2.415   4.901   0.812  1.00  0.00           C  
HETATM   13  C   UNL     1       7.635  -3.184   1.888  1.00  0.00           C  
HETATM   14  C   UNL     1       7.077  -3.653   0.543  1.00  0.00           C  
HETATM   15  C   UNL     1       7.383  -5.117   0.355  1.00  0.00           C  
HETATM   16  C   UNL     1       6.405  -5.984   0.269  1.00  0.00           C  
HETATM   17  C   UNL     1       6.712  -7.450   0.094  1.00  0.00           C  
HETATM   18  C   UNL     1       4.975  -5.517   0.344  1.00  0.00           C  
HETATM   19  C   UNL     1       4.478  -5.168  -1.060  1.00  0.00           C  
HETATM   20  C   UNL     1       3.047  -4.700  -0.985  1.00  0.00           C  
HETATM   21  C   UNL     1       2.139  -5.242  -1.758  1.00  0.00           C  
HETATM   22  C   UNL     1       2.539  -6.280  -2.776  1.00  0.00           C  
HETATM   23  C   UNL     1       3.756   4.899   0.852  1.00  0.00           C  
HETATM   24  C   UNL     1       0.696  -4.829  -1.630  1.00  0.00           C  
HETATM   25  C   UNL     1       0.387  -3.733  -2.652  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.056  -3.319  -2.525  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.359  -2.074  -2.251  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.276  -1.028  -2.206  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.791  -1.689  -1.981  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.046  -1.700  -0.473  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.478  -1.314  -0.203  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.278  -2.151   0.410  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.804  -3.545   0.734  1.00  0.00           C  
HETATM   34  C   UNL     1       4.539   5.423  -0.285  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.670  -1.721   0.793  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.654  -2.150  -0.297  1.00  0.00           C  
HETATM   37  C   UNL     1      -9.047  -1.719   0.085  1.00  0.00           C  
HETATM   38  C   UNL     1      -9.712  -0.895  -0.686  1.00  0.00           C  
HETATM   39  C   UNL     1     -11.133  -0.527  -0.345  1.00  0.00           C  
HETATM   40  C   UNL     1      -9.057  -0.316  -1.913  1.00  0.00           C  
HETATM   41  C   UNL     1     -11.145   0.783   0.446  1.00  0.00           C  
HETATM   42  C   UNL     1     -12.566   1.151   0.787  1.00  0.00           C  
HETATM   43  C   UNL     1     -12.892   1.430   2.025  1.00  0.00           C  
HETATM   44  C   UNL     1     -11.818   1.574   3.072  1.00  0.00           C  
HETATM   45  C   UNL     1       3.855   6.219  -1.328  1.00  0.00           C  
HETATM   46  C   UNL     1     -14.340   1.606   2.401  1.00  0.00           C  
HETATM   47  C   UNL     1       4.574   6.958  -2.258  1.00  0.00           C  
HETATM   48  C   UNL     1       3.899   7.692  -3.222  1.00  0.00           C  
HETATM   49  C   UNL     1       2.518   7.694  -3.263  1.00  0.00           C  
HETATM   50  C   UNL     1       1.786   6.960  -2.341  1.00  0.00           C  
HETATM   51  O   UNL     1       0.514   5.213  -0.516  1.00  0.00           O  
HETATM   52  O   UNL     1       5.731   5.204  -0.364  1.00  0.00           O  
HETATM   53  H   UNL     1       3.814   4.436   2.934  1.00  0.00           H  
HETATM   54  H   UNL     1       5.375   4.938   2.242  1.00  0.00           H  
HETATM   55  H   UNL     1       5.389   2.633   0.955  1.00  0.00           H  
HETATM   56  H   UNL     1       2.740   2.542   3.832  1.00  0.00           H  
HETATM   57  H   UNL     1       3.971   1.634   4.743  1.00  0.00           H  
HETATM   58  H   UNL     1       4.243   3.347   4.342  1.00  0.00           H  
HETATM   59  H   UNL     1       3.888  -0.049   2.812  1.00  0.00           H  
HETATM   60  H   UNL     1       4.758   0.397   1.325  1.00  0.00           H  
HETATM   61  H   UNL     1       6.843   0.696   2.633  1.00  0.00           H  
HETATM   62  H   UNL     1       5.973   0.250   4.121  1.00  0.00           H  
HETATM   63  H   UNL     1       5.557  -2.098   3.083  1.00  0.00           H  
HETATM   64  H   UNL     1       8.960  -0.355   2.256  1.00  0.00           H  
HETATM   65  H   UNL     1       8.791  -1.102   0.649  1.00  0.00           H  
HETATM   66  H   UNL     1       7.663   0.177   1.160  1.00  0.00           H  
HETATM   67  H   UNL     1       1.853   4.516   1.651  1.00  0.00           H  
HETATM   68  H   UNL     1       8.715  -3.335   1.906  1.00  0.00           H  
HETATM   69  H   UNL     1       7.175  -3.758   2.693  1.00  0.00           H  
HETATM   70  H   UNL     1       5.998  -3.502   0.525  1.00  0.00           H  
HETATM   71  H   UNL     1       7.538  -3.079  -0.261  1.00  0.00           H  
HETATM   72  H   UNL     1       8.408  -5.450   0.291  1.00  0.00           H  
HETATM   73  H   UNL     1       6.800  -7.921   1.073  1.00  0.00           H  
HETATM   74  H   UNL     1       5.906  -7.924  -0.467  1.00  0.00           H  
HETATM   75  H   UNL     1       7.649  -7.562  -0.450  1.00  0.00           H  
HETATM   76  H   UNL     1       4.355  -6.311   0.762  1.00  0.00           H  
HETATM   77  H   UNL     1       4.914  -4.635   0.981  1.00  0.00           H  
HETATM   78  H   UNL     1       5.097  -4.374  -1.478  1.00  0.00           H  
HETATM   79  H   UNL     1       4.539  -6.050  -1.697  1.00  0.00           H  
HETATM   80  H   UNL     1       2.770  -3.919  -0.293  1.00  0.00           H  
HETATM   81  H   UNL     1       2.430  -7.274  -2.343  1.00  0.00           H  
HETATM   82  H   UNL     1       1.898  -6.194  -3.653  1.00  0.00           H  
HETATM   83  H   UNL     1       3.577  -6.122  -3.068  1.00  0.00           H  
HETATM   84  H   UNL     1       0.053  -5.689  -1.816  1.00  0.00           H  
HETATM   85  H   UNL     1       0.514  -4.449  -0.625  1.00  0.00           H  
HETATM   86  H   UNL     1       1.030  -2.872  -2.467  1.00  0.00           H  
HETATM   87  H   UNL     1       0.569  -4.112  -3.658  1.00  0.00           H  
HETATM   88  H   UNL     1      -1.841  -4.049  -2.659  1.00  0.00           H  
HETATM   89  H   UNL     1       0.204  -1.043  -1.227  1.00  0.00           H  
HETATM   90  H   UNL     1       0.465  -1.238  -2.977  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.713  -0.044  -2.381  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.978  -0.689  -2.374  1.00  0.00           H  
HETATM   93  H   UNL     1      -3.457  -2.401  -2.468  1.00  0.00           H  
HETATM   94  H   UNL     1      -2.859  -2.699  -0.080  1.00  0.00           H  
HETATM   95  H   UNL     1      -2.381  -0.987   0.014  1.00  0.00           H  
HETATM   96  H   UNL     1      -4.845  -0.348  -0.516  1.00  0.00           H  
HETATM   97  H   UNL     1      -4.256  -3.533   1.676  1.00  0.00           H  
HETATM   98  H   UNL     1      -5.664  -4.209   0.822  1.00  0.00           H  
HETATM   99  H   UNL     1      -4.150  -3.901  -0.063  1.00  0.00           H  
HETATM  100  H   UNL     1      -6.948  -2.188   1.738  1.00  0.00           H  
HETATM  101  H   UNL     1      -6.698  -0.637   0.901  1.00  0.00           H  
HETATM  102  H   UNL     1      -7.376  -1.683  -1.242  1.00  0.00           H  
HETATM  103  H   UNL     1      -7.626  -3.234  -0.406  1.00  0.00           H  
HETATM  104  H   UNL     1      -9.496  -2.090   0.994  1.00  0.00           H  
HETATM  105  H   UNL     1     -11.706  -0.401  -1.264  1.00  0.00           H  
HETATM  106  H   UNL     1     -11.580  -1.319   0.256  1.00  0.00           H  
HETATM  107  H   UNL     1      -9.248  -0.965  -2.768  1.00  0.00           H  
HETATM  108  H   UNL     1      -9.467   0.675  -2.110  1.00  0.00           H  
HETATM  109  H   UNL     1      -7.982  -0.238  -1.749  1.00  0.00           H  
HETATM  110  H   UNL     1     -10.572   0.657   1.365  1.00  0.00           H  
HETATM  111  H   UNL     1     -10.698   1.575  -0.155  1.00  0.00           H  
HETATM  112  H   UNL     1     -13.316   1.186   0.010  1.00  0.00           H  
HETATM  113  H   UNL     1     -10.841   1.410   2.616  1.00  0.00           H  
HETATM  114  H   UNL     1     -11.857   2.576   3.497  1.00  0.00           H  
HETATM  115  H   UNL     1     -11.979   0.838   3.861  1.00  0.00           H  
HETATM  116  H   UNL     1     -14.758   0.645   2.700  1.00  0.00           H  
HETATM  117  H   UNL     1     -14.417   2.309   3.231  1.00  0.00           H  
HETATM  118  H   UNL     1     -14.894   1.993   1.545  1.00  0.00           H  
HETATM  119  H   UNL     1       5.653   6.961  -2.230  1.00  0.00           H  
HETATM  120  H   UNL     1       4.457   8.268  -3.946  1.00  0.00           H  
HETATM  121  H   UNL     1       2.005   8.270  -4.019  1.00  0.00           H  
HETATM  122  H   UNL     1       0.707   6.964  -2.378  1.00  0.00           H  
CONECT    1   51   51   12    2                                       
CONECT    2    1   50   50   45                                       
CONECT    3   23    4   53   54                                       
CONECT    4    3    5    5   55                                       
CONECT    5    6    4    4    7                                       
CONECT    6    5   56   57   58                                       
CONECT    7    5    8   59   60                                       
CONECT    8    7    9   61   62                                       
CONECT    9    8   10   10   63                                       
CONECT   10   11    9    9   13                                       
CONECT   11   10   64   65   66                                       
CONECT   12    1   23   23   67                                       
CONECT   13   10   14   68   69                                       
CONECT   14   15   13   70   71                                       
CONECT   15   14   16   16   72                                       
CONECT   16   15   15   17   18                                       
CONECT   17   16   73   74   75                                       
CONECT   18   16   19   76   77                                       
CONECT   19   18   20   78   79                                       
CONECT   20   19   21   21   80                                       
CONECT   21   20   20   22   24                                       
CONECT   22   21   81   82   83                                       
CONECT   23   12   12    3   34                                       
CONECT   24   25   21   84   85                                       
CONECT   25   26   24   86   87                                       
CONECT   26   27   27   25   88                                       
CONECT   27   28   29   26   26                                       
CONECT   28   27   89   90   91                                       
CONECT   29   27   30   92   93                                       
CONECT   30   29   31   94   95                                       
CONECT   31   30   32   32   96                                       
CONECT   32   33   31   31   35                                       
CONECT   33   32   97   98   99                                       
CONECT   34   23   45   52   52                                       
CONECT   35   36   32  100  101                                       
CONECT   36   37   35  102  103                                       
CONECT   37   36   38   38  104                                       
CONECT   38   40   37   37   39                                       
CONECT   39   38   41  105  106                                       
CONECT   40   38  107  108  109                                       
CONECT   41   39   42  110  111                                       
CONECT   42   41   43   43  112                                       
CONECT   43   46   42   42   44                                       
CONECT   44   43  113  114  115                                       
CONECT   45    2   34   47   47                                       
CONECT   46   43  116  117  118                                       
CONECT   47   45   45   48  119                                       
CONECT   48   49   49   47  120                                       
CONECT   49   50   48   48  121                                       
CONECT   50    2    2   49  122                                       
CONECT   51    1    1                                                 
CONECT   52   34   34                                                 
CONECT   53    3                                                      
CONECT   54    3                                                      
CONECT   55    4                                                      
CONECT   56    6                                                      
CONECT   57    6                                                      
CONECT   58    6                                                      
CONECT   59    7                                                      
CONECT   60    7                                                      
CONECT   61    8                                                      
CONECT   62    8                                                      
CONECT   63    9                                                      
CONECT   64   11                                                      
CONECT   65   11                                                      
CONECT   66   11                                                      
CONECT   67   12                                                      
CONECT   68   13                                                      
CONECT   69   13                                                      
CONECT   70   14                                                      
CONECT   71   14                                                      
CONECT   72   15                                                      
CONECT   73   17                                                      
CONECT   74   17                                                      
CONECT   75   17                                                      
CONECT   76   18                                                      
CONECT   77   18                                                      
CONECT   78   19                                                      
CONECT   79   19                                                      
CONECT   80   20                                                      
CONECT   81   22                                                      
CONECT   82   22                                                      
CONECT   83   22                                                      
CONECT   84   24                                                      
CONECT   85   24                                                      
CONECT   86   25                                                      
CONECT   87   25                                                      
CONECT   88   26                                                      
CONECT   89   28                                                      
CONECT   90   28                                                      
CONECT   91   28                                                      
CONECT   92   29                                                      
CONECT   93   29                                                      
CONECT   94   30                                                      
CONECT   95   30                                                      
CONECT   96   31                                                      
CONECT   97   33                                                      
CONECT   98   33                                                      
CONECT   99   33                                                      
CONECT  100   35                                                      
CONECT  101   35                                                      
CONECT  102   36                                                      
CONECT  103   36                                                      
CONECT  104   37                                                      
CONECT  105   39                                                      
CONECT  106   39                                                      
CONECT  107   40                                                      
CONECT  108   40                                                      
CONECT  109   40                                                      
CONECT  110   41                                                      
CONECT  111   41                                                      
CONECT  112   42                                                      
CONECT  113   44                                                      
CONECT  114   44                                                      
CONECT  115   44                                                      
CONECT  116   46                                                      
CONECT  117   46                                                      
CONECT  118   46                                                      
CONECT  119   47                                                      
CONECT  120   48                                                      
CONECT  121   49                                                      
CONECT  122   50                                                      
MASTER        0    0    0    0    0    0    0    0  122    0  122    0
END
