COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.436  -1.452   0.129  1.00  0.00           C  
HETATM    2  C   UNL     1       6.770  -0.562   0.171  1.00  0.00           C  
HETATM    3  C   UNL     1     -14.004   2.147   0.369  1.00  0.00           C  
HETATM    4  C   UNL     1     -13.084   1.204  -0.410  1.00  0.00           C  
HETATM    5  C   UNL     1     -11.776   1.017   0.360  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.628  -1.056  -0.428  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.399  -2.186  -0.437  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.090  -2.373   0.333  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.185  -3.301  -0.434  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.155  -4.513  -0.738  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.821  -4.748  -0.027  1.00  0.00           C  
HETATM   12  O   UNL     1      -2.974  -3.613   0.054  1.00  0.00           O  
HETATM   13  C   UNL     1      -9.547  -0.113   0.351  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.319  -1.243   0.342  1.00  0.00           C  
HETATM   15  C   UNL     1       1.262  -3.593   0.028  1.00  0.00           C  
HETATM   16  C   UNL     1       2.102  -2.342   0.086  1.00  0.00           C  
HETATM   17  C   UNL     1       3.584  -2.722   0.069  1.00  0.00           C  
HETATM   18  C   UNL     1       5.918  -1.831   0.111  1.00  0.00           C  
HETATM   19  C   UNL     1       8.252  -0.941   0.154  1.00  0.00           C  
HETATM   20  C   UNL     1       9.104   0.328   0.213  1.00  0.00           C  
HETATM   21  C   UNL     1      10.586  -0.051   0.196  1.00  0.00           C  
HETATM   22  C   UNL     1      11.438   1.219   0.256  1.00  0.00           C  
HETATM   23  C   UNL     1      12.916   0.848   0.113  1.00  0.00           C  
HETATM   24  C   UNL     1      13.757   2.124   0.047  1.00  0.00           C  
HETATM   25  C   UNL     1      15.235   1.754  -0.095  1.00  0.00           C  
HETATM   26  C   UNL     1      11.215   1.920   1.597  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.083  -5.253   1.393  1.00  0.00           C  
HETATM   28  C   UNL     1     -15.313   2.334  -0.401  1.00  0.00           C  
HETATM   29  C   UNL     1     -10.856   0.074  -0.419  1.00  0.00           C  
HETATM   30  O   UNL     1      -0.077  -3.503   0.031  1.00  0.00           O  
HETATM   31  O   UNL     1       1.795  -4.676  -0.023  1.00  0.00           O  
HETATM   32  O   UNL     1      -4.549  -3.766  -1.488  1.00  0.00           O  
HETATM   33  H   UNL     1       4.212  -0.823  -0.733  1.00  0.00           H  
HETATM   34  H   UNL     1       4.211  -0.906   1.045  1.00  0.00           H  
HETATM   35  H   UNL     1       6.546   0.067  -0.691  1.00  0.00           H  
HETATM   36  H   UNL     1       6.545  -0.016   1.087  1.00  0.00           H  
HETATM   37  H   UNL     1     -14.217   1.719   1.348  1.00  0.00           H  
HETATM   38  H   UNL     1     -13.514   3.112   0.492  1.00  0.00           H  
HETATM   39  H   UNL     1     -13.575   0.238  -0.534  1.00  0.00           H  
HETATM   40  H   UNL     1     -12.872   1.632  -1.390  1.00  0.00           H  
HETATM   41  H   UNL     1     -11.285   1.982   0.483  1.00  0.00           H  
HETATM   42  H   UNL     1     -11.988   0.589   1.339  1.00  0.00           H  
HETATM   43  H   UNL     1      -9.118  -2.022  -0.552  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.415  -0.628  -1.408  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.186  -1.758  -1.417  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.889  -3.151  -0.561  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.600  -1.407   0.457  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.303  -2.800   1.313  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.971  -4.070  -1.717  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.674  -5.463  -0.861  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.243  -5.492  -0.576  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.760  -0.541   1.331  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.057   0.853   0.475  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.829  -0.277   0.466  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.532  -1.671   1.322  1.00  0.00           H  
HETATM   56  H   UNL     1       1.877  -1.714  -0.775  1.00  0.00           H  
HETATM   57  H   UNL     1       1.877  -1.797   1.003  1.00  0.00           H  
HETATM   58  H   UNL     1       3.809  -3.267  -0.847  1.00  0.00           H  
HETATM   59  H   UNL     1       3.808  -3.350   0.931  1.00  0.00           H  
HETATM   60  H   UNL     1       6.142  -2.460   0.973  1.00  0.00           H  
HETATM   61  H   UNL     1       6.143  -2.377  -0.805  1.00  0.00           H  
HETATM   62  H   UNL     1       8.476  -1.570   1.015  1.00  0.00           H  
HETATM   63  H   UNL     1       8.477  -1.487  -0.763  1.00  0.00           H  
HETATM   64  H   UNL     1       8.880   0.957  -0.648  1.00  0.00           H  
HETATM   65  H   UNL     1       8.879   0.874   1.130  1.00  0.00           H  
HETATM   66  H   UNL     1      10.810  -0.680   1.058  1.00  0.00           H  
HETATM   67  H   UNL     1      10.811  -0.597  -0.720  1.00  0.00           H  
HETATM   68  H   UNL     1      11.151   1.887  -0.556  1.00  0.00           H  
HETATM   69  H   UNL     1      13.225   0.253   0.972  1.00  0.00           H  
HETATM   70  H   UNL     1      13.059   0.271  -0.800  1.00  0.00           H  
HETATM   71  H   UNL     1      13.447   2.720  -0.811  1.00  0.00           H  
HETATM   72  H   UNL     1      13.614   2.702   0.961  1.00  0.00           H  
HETATM   73  H   UNL     1      15.545   1.158   0.763  1.00  0.00           H  
HETATM   74  H   UNL     1      15.378   1.177  -1.009  1.00  0.00           H  
HETATM   75  H   UNL     1      11.502   1.251   2.409  1.00  0.00           H  
HETATM   76  H   UNL     1      11.822   2.824   1.639  1.00  0.00           H  
HETATM   77  H   UNL     1      10.163   2.184   1.699  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.661  -4.510   1.942  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.642  -6.188   1.350  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.133  -5.421   1.900  1.00  0.00           H  
HETATM   81  H   UNL     1     -15.100   2.761  -1.381  1.00  0.00           H  
HETATM   82  H   UNL     1     -15.803   1.368  -0.525  1.00  0.00           H  
HETATM   83  H   UNL     1     -11.346  -0.892  -0.543  1.00  0.00           H  
HETATM   84  H   UNL     1     -10.643   0.502  -1.399  1.00  0.00           H  
HETATM   85  C   UNL     1     -16.232   3.276   0.377  1.00  0.00           C  
HETATM   86  C   UNL     1     -17.541   3.464  -0.393  1.00  0.00           C  
HETATM   87  C   UNL     1     -18.461   4.406   0.386  1.00  0.00           C  
HETATM   88  C   UNL     1     -19.770   4.594  -0.384  1.00  0.00           C  
HETATM   89  C   UNL     1      16.076   3.030  -0.161  1.00  0.00           C  
HETATM   90  C   UNL     1      17.554   2.660  -0.304  1.00  0.00           C  
HETATM   91  C   UNL     1      18.396   3.936  -0.370  1.00  0.00           C  
HETATM   92  C   UNL     1      19.873   3.566  -0.512  1.00  0.00           C  
HETATM   93  C   UNL     1      20.715   4.842  -0.578  1.00  0.00           C  
HETATM   94  H   UNL     1     -16.445   2.849   1.357  1.00  0.00           H  
HETATM   95  H   UNL     1     -15.742   4.242   0.501  1.00  0.00           H  
HETATM   96  H   UNL     1     -17.328   3.891  -1.372  1.00  0.00           H  
HETATM   97  H   UNL     1     -18.031   2.498  -0.516  1.00  0.00           H  
HETATM   98  H   UNL     1     -18.674   3.979   1.366  1.00  0.00           H  
HETATM   99  H   UNL     1     -17.971   5.372   0.510  1.00  0.00           H  
HETATM  100  H   UNL     1     -19.557   5.021  -1.363  1.00  0.00           H  
HETATM  101  H   UNL     1     -20.260   3.628  -0.507  1.00  0.00           H  
HETATM  102  H   UNL     1      15.767   3.626  -1.020  1.00  0.00           H  
HETATM  103  H   UNL     1      15.933   3.607   0.752  1.00  0.00           H  
HETATM  104  H   UNL     1      17.864   2.064   0.555  1.00  0.00           H  
HETATM  105  H   UNL     1      17.697   2.083  -1.217  1.00  0.00           H  
HETATM  106  H   UNL     1      18.086   4.532  -1.228  1.00  0.00           H  
HETATM  107  H   UNL     1      18.252   4.513   0.544  1.00  0.00           H  
HETATM  108  H   UNL     1      20.183   2.970   0.347  1.00  0.00           H  
HETATM  109  H   UNL     1      20.017   2.989  -1.426  1.00  0.00           H  
HETATM  110  H   UNL     1      20.405   5.438  -1.436  1.00  0.00           H  
HETATM  111  H   UNL     1      20.571   5.419   0.336  1.00  0.00           H  
HETATM  112  H   UNL     1      21.767   4.578  -0.679  1.00  0.00           H  
HETATM  113  C   UNL     1     -20.689   5.536   0.395  1.00  0.00           C  
HETATM  114  H   UNL     1     -20.902   5.109   1.375  1.00  0.00           H  
HETATM  115  H   UNL     1     -20.199   6.502   0.519  1.00  0.00           H  
HETATM  116  H   UNL     1     -21.622   5.670  -0.153  1.00  0.00           H  
CONECT    1   18   17   33   34                                       
CONECT    2   19   18   35   36                                       
CONECT    3   28    4   37   38                                       
CONECT    4    3    5   39   40                                       
CONECT    5    4   29   41   42                                       
CONECT    6   13   14   43   44                                       
CONECT    7   14    8   45   46                                       
CONECT    8    7    9   47   48                                       
CONECT    9    8   32   32   12                                       
CONECT   10   11   12   49   50                                       
CONECT   11   30   10   27   51                                       
CONECT   12    9   10                                                 
CONECT   13   29    6   52   53                                       
CONECT   14    6    7   54   55                                       
CONECT   15   16   30   31   31                                       
CONECT   16   17   15   56   57                                       
CONECT   17    1   16   58   59                                       
CONECT   18    2    1   60   61                                       
CONECT   19   20    2   62   63                                       
CONECT   20   21   19   64   65                                       
CONECT   21   22   20   66   67                                       
CONECT   22   26   23   21   68                                       
CONECT   23   22   24   69   70                                       
CONECT   24   25   23   71   72                                       
CONECT   25   24   73   74   89                                       
CONECT   26   22   75   76   77                                       
CONECT   27   11   78   79   80                                       
CONECT   28    3   81   82   85                                       
CONECT   29    5   13   83   84                                       
CONECT   30   15   11                                                 
CONECT   31   15   15                                                 
CONECT   32    9    9                                                 
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   14                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   20                                                      
CONECT   66   21                                                      
CONECT   67   21                                                      
CONECT   68   22                                                      
CONECT   69   23                                                      
CONECT   70   23                                                      
CONECT   71   24                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   25                                                      
CONECT   75   26                                                      
CONECT   76   26                                                      
CONECT   77   26                                                      
CONECT   78   27                                                      
CONECT   79   27                                                      
CONECT   80   27                                                      
CONECT   81   28                                                      
CONECT   82   28                                                      
CONECT   83   29                                                      
CONECT   84   29                                                      
CONECT   85   28   86   94   95                                       
CONECT   86   85   87   96   97                                       
CONECT   87   86   88   98   99                                       
CONECT   88   87  100  101  113                                       
CONECT   89   25   90  102  103                                       
CONECT   90   89   91  104  105                                       
CONECT   91   90   92  106  107                                       
CONECT   92   91   93  108  109                                       
CONECT   93   92  110  111  112                                       
CONECT   94   85                                                      
CONECT   95   85                                                      
CONECT   96   86                                                      
CONECT   97   86                                                      
CONECT   98   87                                                      
CONECT   99   87                                                      
CONECT  100   88                                                      
CONECT  101   88                                                      
CONECT  102   89                                                      
CONECT  103   89                                                      
CONECT  104   90                                                      
CONECT  105   90                                                      
CONECT  106   91                                                      
CONECT  107   91                                                      
CONECT  108   92                                                      
CONECT  109   92                                                      
CONECT  110   93                                                      
CONECT  111   93                                                      
CONECT  112   93                                                      
CONECT  113   88  114  115  116                                       
CONECT  114  113                                                      
CONECT  115  113                                                      
CONECT  116  113                                                      
MASTER        0    0    0    0    0    0    0    0  116    0  116    0
END
