COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.011  -0.552  -0.399  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.243  -1.342   0.047  1.00  0.00           C  
HETATM    3  C   UNL     1       1.237  -1.424  -0.250  1.00  0.00           C  
HETATM    4  C   UNL     1       3.604  -1.260  -0.476  1.00  0.00           C  
HETATM    5  C   UNL     1       4.873  -0.508  -0.784  1.00  0.00           C  
HETATM    6  C   UNL     1       6.073  -1.441  -0.613  1.00  0.00           C  
HETATM    7  C   UNL     1       7.361  -0.678  -0.926  1.00  0.00           C  
HETATM    8  C   UNL     1       8.562  -1.611  -0.756  1.00  0.00           C  
HETATM    9  C   UNL     1       9.850  -0.847  -1.068  1.00  0.00           C  
HETATM   10  C   UNL     1      11.050  -1.781  -0.898  1.00  0.00           C  
HETATM   11  C   UNL     1      12.339  -1.017  -1.210  1.00  0.00           C  
HETATM   12  C   UNL     1      13.539  -1.950  -1.040  1.00  0.00           C  
HETATM   13  C   UNL     1      14.808  -1.198  -1.347  1.00  0.00           C  
HETATM   14  C   UNL     1      15.775  -1.157  -0.465  1.00  0.00           C  
HETATM   15  C   UNL     1      17.044  -0.404  -0.773  1.00  0.00           C  
HETATM   16  C   UNL     1      17.309   0.622   0.331  1.00  0.00           C  
HETATM   17  C   UNL     1      18.598   1.385   0.019  1.00  0.00           C  
HETATM   18  C   UNL     1      18.863   2.411   1.122  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.580  -1.023   0.384  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.834  -0.187   0.379  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.018  -1.042   0.835  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.292  -0.194   0.829  1.00  0.00           C  
HETATM   23  C   UNL     1      -8.476  -1.048   1.285  1.00  0.00           C  
HETATM   24  C   UNL     1      -9.749  -0.200   1.279  1.00  0.00           C  
HETATM   25  C   UNL     1     -10.934  -1.054   1.735  1.00  0.00           C  
HETATM   26  C   UNL     1     -12.207  -0.206   1.729  1.00  0.00           C  
HETATM   27  C   UNL     1     -13.391  -1.061   2.185  1.00  0.00           C  
HETATM   28  C   UNL     1     -14.645  -0.225   2.180  1.00  0.00           C  
HETATM   29  C   UNL     1     -15.694  -0.622   1.503  1.00  0.00           C  
HETATM   30  C   UNL     1     -16.948   0.213   1.497  1.00  0.00           C  
HETATM   31  C   UNL     1     -17.347   0.525   0.053  1.00  0.00           C  
HETATM   32  C   UNL     1     -18.620   1.373   0.047  1.00  0.00           C  
HETATM   33  C   UNL     1     -19.020   1.684  -1.396  1.00  0.00           C  
HETATM   34  C   UNL     1     -20.293   2.533  -1.402  1.00  0.00           C  
HETATM   35  C   UNL     1     -20.692   2.844  -2.846  1.00  0.00           C  
HETATM   36  C   UNL     1     -21.965   3.692  -2.852  1.00  0.00           C  
HETATM   37  O   UNL     1       3.654  -2.424  -0.154  1.00  0.00           O  
HETATM   38  O   UNL     1      -2.409  -0.479   0.018  1.00  0.00           O  
HETATM   39  O   UNL     1       2.417  -0.638  -0.560  1.00  0.00           O  
HETATM   40  O   UNL     1      -3.629  -2.183   0.719  1.00  0.00           O  
HETATM   41  O   UNL     1      -0.162  -0.167  -1.767  1.00  0.00           O  
HETATM   42  H   UNL     1       0.093   0.340   0.220  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.397  -2.185  -0.627  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.089  -1.712   1.061  1.00  0.00           H  
HETATM   45  H   UNL     1       1.304  -1.791   0.775  1.00  0.00           H  
HETATM   46  H   UNL     1       1.173  -2.270  -0.934  1.00  0.00           H  
HETATM   47  H   UNL     1       4.839  -0.143  -1.810  1.00  0.00           H  
HETATM   48  H   UNL     1       4.969   0.336  -0.101  1.00  0.00           H  
HETATM   49  H   UNL     1       6.107  -1.806   0.413  1.00  0.00           H  
HETATM   50  H   UNL     1       5.976  -2.286  -1.296  1.00  0.00           H  
HETATM   51  H   UNL     1       7.328  -0.313  -1.952  1.00  0.00           H  
HETATM   52  H   UNL     1       7.458   0.167  -0.243  1.00  0.00           H  
HETATM   53  H   UNL     1       8.595  -1.976   0.271  1.00  0.00           H  
HETATM   54  H   UNL     1       8.465  -2.455  -1.438  1.00  0.00           H  
HETATM   55  H   UNL     1       9.816  -0.482  -2.094  1.00  0.00           H  
HETATM   56  H   UNL     1       9.946  -0.003  -0.385  1.00  0.00           H  
HETATM   57  H   UNL     1      11.084  -2.145   0.129  1.00  0.00           H  
HETATM   58  H   UNL     1      10.954  -2.625  -1.580  1.00  0.00           H  
HETATM   59  H   UNL     1      12.305  -0.652  -2.237  1.00  0.00           H  
HETATM   60  H   UNL     1      12.435  -0.173  -0.527  1.00  0.00           H  
HETATM   61  H   UNL     1      13.573  -2.315  -0.013  1.00  0.00           H  
HETATM   62  H   UNL     1      13.442  -2.794  -1.722  1.00  0.00           H  
HETATM   63  H   UNL     1      14.920  -0.693  -2.295  1.00  0.00           H  
HETATM   64  H   UNL     1      15.663  -1.662   0.483  1.00  0.00           H  
HETATM   65  H   UNL     1      17.878  -1.104  -0.826  1.00  0.00           H  
HETATM   66  H   UNL     1      16.940   0.109  -1.728  1.00  0.00           H  
HETATM   67  H   UNL     1      16.476   1.322   0.384  1.00  0.00           H  
HETATM   68  H   UNL     1      17.414   0.108   1.287  1.00  0.00           H  
HETATM   69  H   UNL     1      19.431   0.685  -0.034  1.00  0.00           H  
HETATM   70  H   UNL     1      18.493   1.899  -0.937  1.00  0.00           H  
HETATM   71  H   UNL     1      18.029   3.112   1.175  1.00  0.00           H  
HETATM   72  H   UNL     1      18.967   1.898   2.078  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.712   0.656   1.058  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.020   0.183  -0.630  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.141  -1.885   0.155  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.833  -1.412   1.843  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.169   0.650   1.509  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.477   0.176  -0.179  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.599  -1.892   0.605  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.290  -1.418   2.293  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.627   0.643   1.959  1.00  0.00           H  
HETATM   82  H   UNL     1      -9.935   0.170   0.271  1.00  0.00           H  
HETATM   83  H   UNL     1     -11.056  -1.898   1.055  1.00  0.00           H  
HETATM   84  H   UNL     1     -10.748  -1.424   2.743  1.00  0.00           H  
HETATM   85  H   UNL     1     -12.085   0.637   2.409  1.00  0.00           H  
HETATM   86  H   UNL     1     -12.393   0.164   0.721  1.00  0.00           H  
HETATM   87  H   UNL     1     -13.514  -1.904   1.506  1.00  0.00           H  
HETATM   88  H   UNL     1     -13.206  -1.431   3.194  1.00  0.00           H  
HETATM   89  H   UNL     1     -14.679   0.701   2.734  1.00  0.00           H  
HETATM   90  H   UNL     1     -15.660  -1.548   0.948  1.00  0.00           H  
HETATM   91  H   UNL     1     -17.753  -0.336   1.986  1.00  0.00           H  
HETATM   92  H   UNL     1     -16.766   1.145   2.033  1.00  0.00           H  
HETATM   93  H   UNL     1     -16.542   1.074  -0.436  1.00  0.00           H  
HETATM   94  H   UNL     1     -17.529  -0.407  -0.482  1.00  0.00           H  
HETATM   95  H   UNL     1     -19.425   0.824   0.536  1.00  0.00           H  
HETATM   96  H   UNL     1     -18.438   2.305   0.583  1.00  0.00           H  
HETATM   97  H   UNL     1     -18.215   2.233  -1.885  1.00  0.00           H  
HETATM   98  H   UNL     1     -19.201   0.753  -1.932  1.00  0.00           H  
HETATM   99  H   UNL     1     -21.097   1.984  -0.913  1.00  0.00           H  
HETATM  100  H   UNL     1     -20.111   3.464  -0.866  1.00  0.00           H  
HETATM  101  H   UNL     1     -19.887   3.393  -3.335  1.00  0.00           H  
HETATM  102  H   UNL     1     -20.874   1.912  -3.382  1.00  0.00           H  
HETATM  103  H   UNL     1     -22.770   3.143  -2.362  1.00  0.00           H  
HETATM  104  H   UNL     1     -21.783   4.624  -2.316  1.00  0.00           H  
HETATM  105  H   UNL     1     -22.249   3.914  -3.880  1.00  0.00           H  
HETATM  106  H   UNL     1      -0.260  -0.912  -2.376  1.00  0.00           H  
HETATM  107  C   UNL     1      20.151   3.175   0.810  1.00  0.00           C  
HETATM  108  C   UNL     1      20.416   4.201   1.914  1.00  0.00           C  
HETATM  109  C   UNL     1      21.705   4.965   1.601  1.00  0.00           C  
HETATM  110  H   UNL     1      20.985   2.475   0.757  1.00  0.00           H  
HETATM  111  H   UNL     1      20.046   3.689  -0.146  1.00  0.00           H  
HETATM  112  H   UNL     1      19.582   4.901   1.967  1.00  0.00           H  
HETATM  113  H   UNL     1      20.521   3.688   2.869  1.00  0.00           H  
HETATM  114  H   UNL     1      22.538   4.265   1.548  1.00  0.00           H  
HETATM  115  H   UNL     1      21.600   5.478   0.646  1.00  0.00           H  
HETATM  116  H   UNL     1      21.893   5.696   2.388  1.00  0.00           H  
CONECT    1    2    3   41   42                                       
CONECT    2   38    1   43   44                                       
CONECT    3   39    1   45   46                                       
CONECT    4    5   37   37   39                                       
CONECT    5    6    4   47   48                                       
CONECT    6    7    5   49   50                                       
CONECT    7    8    6   51   52                                       
CONECT    8    9    7   53   54                                       
CONECT    9   10    8   55   56                                       
CONECT   10   11    9   57   58                                       
CONECT   11   12   10   59   60                                       
CONECT   12   13   11   61   62                                       
CONECT   13   14   14   12   63                                       
CONECT   14   15   13   13   64                                       
CONECT   15   16   14   65   66                                       
CONECT   16   17   15   67   68                                       
CONECT   17   18   16   69   70                                       
CONECT   18   17   71   72  107                                       
CONECT   19   20   40   40   38                                       
CONECT   20   21   19   73   74                                       
CONECT   21   22   20   75   76                                       
CONECT   22   23   21   77   78                                       
CONECT   23   24   22   79   80                                       
CONECT   24   25   23   81   82                                       
CONECT   25   26   24   83   84                                       
CONECT   26   27   25   85   86                                       
CONECT   27   28   26   87   88                                       
CONECT   28   29   29   27   89                                       
CONECT   29   30   28   28   90                                       
CONECT   30   31   29   91   92                                       
CONECT   31   32   30   93   94                                       
CONECT   32   31   33   95   96                                       
CONECT   33   32   34   97   98                                       
CONECT   34   35   33   99  100                                       
CONECT   35   36   34  101  102                                       
CONECT   36   35  103  104  105                                       
CONECT   37    4    4                                                 
CONECT   38   19    2                                                 
CONECT   39    4    3                                                 
CONECT   40   19   19                                                 
CONECT   41    1  106                                                 
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    5                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    6                                                      
CONECT   51    7                                                      
CONECT   52    7                                                      
CONECT   53    8                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56    9                                                      
CONECT   57   10                                                      
CONECT   58   10                                                      
CONECT   59   11                                                      
CONECT   60   11                                                      
CONECT   61   12                                                      
CONECT   62   12                                                      
CONECT   63   13                                                      
CONECT   64   14                                                      
CONECT   65   15                                                      
CONECT   66   15                                                      
CONECT   67   16                                                      
CONECT   68   16                                                      
CONECT   69   17                                                      
CONECT   70   17                                                      
CONECT   71   18                                                      
CONECT   72   18                                                      
CONECT   73   20                                                      
CONECT   74   20                                                      
CONECT   75   21                                                      
CONECT   76   21                                                      
CONECT   77   22                                                      
CONECT   78   22                                                      
CONECT   79   23                                                      
CONECT   80   23                                                      
CONECT   81   24                                                      
CONECT   82   24                                                      
CONECT   83   25                                                      
CONECT   84   25                                                      
CONECT   85   26                                                      
CONECT   86   26                                                      
CONECT   87   27                                                      
CONECT   88   27                                                      
CONECT   89   28                                                      
CONECT   90   29                                                      
CONECT   91   30                                                      
CONECT   92   30                                                      
CONECT   93   31                                                      
CONECT   94   31                                                      
CONECT   95   32                                                      
CONECT   96   32                                                      
CONECT   97   33                                                      
CONECT   98   33                                                      
CONECT   99   34                                                      
CONECT  100   34                                                      
CONECT  101   35                                                      
CONECT  102   35                                                      
CONECT  103   36                                                      
CONECT  104   36                                                      
CONECT  105   36                                                      
CONECT  106   41                                                      
CONECT  107   18  108  110  111                                       
CONECT  108  107  109  112  113                                       
CONECT  109  108  114  115  116                                       
CONECT  110  107                                                      
CONECT  111  107                                                      
CONECT  112  108                                                      
CONECT  113  108                                                      
CONECT  114  109                                                      
CONECT  115  109                                                      
CONECT  116  109                                                      
MASTER        0    0    0    0    0    0    0    0  116    0  116    0
END
