COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -17.183   0.248  -0.288  1.00  0.00           C  
HETATM    2  O   UNL     1     -17.360  -0.565   0.874  1.00  0.00           O  
HETATM    3  C   UNL     1     -17.201  -0.636  -1.536  1.00  0.00           C  
HETATM    4  C   UNL     1     -18.317   1.272  -0.372  1.00  0.00           C  
HETATM    5  C   UNL     1     -15.842   0.979  -0.200  1.00  0.00           C  
HETATM    6  C   UNL     1     -14.702  -0.041  -0.241  1.00  0.00           C  
HETATM    7  C   UNL     1     -13.380   0.678  -0.154  1.00  0.00           C  
HETATM    8  C   UNL     1     -12.190  -0.046  -0.173  1.00  0.00           C  
HETATM    9  C   UNL     1     -12.224  -1.549  -0.281  1.00  0.00           C  
HETATM   10  C   UNL     1      -9.786  -0.109  -0.112  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.573   0.552  -0.032  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.382  -0.172  -0.051  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.416  -1.675  -0.159  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.168   0.488   0.029  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.978  -0.236   0.010  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.765   0.425   0.090  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.573  -0.300   0.071  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.607  -1.803  -0.037  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.361   0.361   0.151  1.00  0.00           C  
HETATM   20  C   UNL     1     -18.589  -1.294   0.891  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.169  -0.364   0.132  1.00  0.00           C  
HETATM   22  C   UNL     1       1.043   0.296   0.212  1.00  0.00           C  
HETATM   23  C   UNL     1       2.235  -0.429   0.193  1.00  0.00           C  
HETATM   24  C   UNL     1       3.447   0.231   0.273  1.00  0.00           C  
HETATM   25  C   UNL     1       3.480   1.734   0.381  1.00  0.00           C  
HETATM   26  C   UNL     1       4.640  -0.495   0.254  1.00  0.00           C  
HETATM   27  C   UNL     1       5.850   0.165   0.334  1.00  0.00           C  
HETATM   28  C   UNL     1       7.044  -0.562   0.315  1.00  0.00           C  
HETATM   29  C   UNL     1       8.253   0.097   0.394  1.00  0.00           C  
HETATM   30  C   UNL     1       8.287   1.599   0.502  1.00  0.00           C  
HETATM   31  C   UNL     1      18.833   1.517  -1.281  1.00  0.00           C  
HETATM   32  C   UNL     1       9.449  -0.631   0.375  1.00  0.00           C  
HETATM   33  C   UNL     1      10.647   0.022   0.454  1.00  0.00           C  
HETATM   34  C   UNL     1      11.847  -0.709   0.435  1.00  0.00           C  
HETATM   35  C   UNL     1      13.039  -0.059   0.514  1.00  0.00           C  
HETATM   36  C   UNL     1      13.073   1.444   0.622  1.00  0.00           C  
HETATM   37  C   UNL     1      14.250  -0.796   0.495  1.00  0.00           C  
HETATM   38  C   UNL     1      15.422  -0.157   0.572  1.00  0.00           C  
HETATM   39  C   UNL     1      16.709  -0.941   0.551  1.00  0.00           C  
HETATM   40  C   UNL     1      17.607  -0.417  -0.572  1.00  0.00           C  
HETATM   41  C   UNL     1      18.858  -1.291  -0.674  1.00  0.00           C  
HETATM   42  C   UNL     1      16.844  -0.463  -1.898  1.00  0.00           C  
HETATM   43  C   UNL     1     -10.976   0.615  -0.093  1.00  0.00           C  
HETATM   44  O   UNL     1      17.989   0.930  -0.288  1.00  0.00           O  
HETATM   45  O   UNL     1     -13.353   1.892  -0.067  1.00  0.00           O  
HETATM   46  H   UNL     1     -17.065  -0.017  -2.423  1.00  0.00           H  
HETATM   47  H   UNL     1     -16.393  -1.366  -1.477  1.00  0.00           H  
HETATM   48  H   UNL     1     -18.156  -1.157  -1.600  1.00  0.00           H  
HETATM   49  H   UNL     1     -18.304   1.902   0.517  1.00  0.00           H  
HETATM   50  H   UNL     1     -18.181   1.892  -1.259  1.00  0.00           H  
HETATM   51  H   UNL     1     -19.272   0.751  -0.435  1.00  0.00           H  
HETATM   52  H   UNL     1     -15.746   1.665  -1.041  1.00  0.00           H  
HETATM   53  H   UNL     1     -15.794   1.539   0.734  1.00  0.00           H  
HETATM   54  H   UNL     1     -14.798  -0.728   0.600  1.00  0.00           H  
HETATM   55  H   UNL     1     -14.749  -0.602  -1.175  1.00  0.00           H  
HETATM   56  H   UNL     1     -12.260  -1.984   0.718  1.00  0.00           H  
HETATM   57  H   UNL     1     -13.108  -1.853  -0.842  1.00  0.00           H  
HETATM   58  H   UNL     1     -11.329  -1.896  -0.796  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.810  -1.186  -0.189  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.548   1.629   0.045  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.452  -2.110   0.840  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.299  -1.979  -0.720  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.521  -2.023  -0.674  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.144   1.566   0.106  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.002  -1.313  -0.067  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.740   1.502   0.168  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.643  -2.238   0.962  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.491  -2.107  -0.598  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.712  -2.150  -0.552  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.337   1.438   0.228  1.00  0.00           H  
HETATM   71  H   UNL     1     -18.648  -1.886   1.805  1.00  0.00           H  
HETATM   72  H   UNL     1     -19.426  -0.597   0.855  1.00  0.00           H  
HETATM   73  H   UNL     1     -18.631  -1.956   0.026  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.193  -1.441   0.055  1.00  0.00           H  
HETATM   75  H   UNL     1       1.067   1.373   0.289  1.00  0.00           H  
HETATM   76  H   UNL     1       2.211  -1.506   0.116  1.00  0.00           H  
HETATM   77  H   UNL     1       3.461   2.023   1.431  1.00  0.00           H  
HETATM   78  H   UNL     1       4.392   2.111  -0.083  1.00  0.00           H  
HETATM   79  H   UNL     1       2.613   2.154  -0.128  1.00  0.00           H  
HETATM   80  H   UNL     1       4.615  -1.572   0.177  1.00  0.00           H  
HETATM   81  H   UNL     1       5.874   1.242   0.411  1.00  0.00           H  
HETATM   82  H   UNL     1       7.020  -1.639   0.237  1.00  0.00           H  
HETATM   83  H   UNL     1       8.267   1.889   1.553  1.00  0.00           H  
HETATM   84  H   UNL     1       9.198   1.977   0.039  1.00  0.00           H  
HETATM   85  H   UNL     1       7.420   2.020  -0.007  1.00  0.00           H  
HETATM   86  H   UNL     1      19.750   0.934  -1.368  1.00  0.00           H  
HETATM   87  H   UNL     1      18.314   1.524  -2.240  1.00  0.00           H  
HETATM   88  H   UNL     1      19.077   2.539  -0.992  1.00  0.00           H  
HETATM   89  H   UNL     1       9.425  -1.708   0.298  1.00  0.00           H  
HETATM   90  H   UNL     1      10.671   1.098   0.532  1.00  0.00           H  
HETATM   91  H   UNL     1      11.823  -1.786   0.358  1.00  0.00           H  
HETATM   92  H   UNL     1      13.054   1.733   1.672  1.00  0.00           H  
HETATM   93  H   UNL     1      13.985   1.821   0.158  1.00  0.00           H  
HETATM   94  H   UNL     1      12.206   1.864   0.113  1.00  0.00           H  
HETATM   95  H   UNL     1      14.226  -1.873   0.417  1.00  0.00           H  
HETATM   96  H   UNL     1      15.446   0.920   0.649  1.00  0.00           H  
HETATM   97  H   UNL     1      17.220  -0.826   1.507  1.00  0.00           H  
HETATM   98  H   UNL     1      16.491  -1.995   0.380  1.00  0.00           H  
HETATM   99  H   UNL     1      19.498  -0.919  -1.474  1.00  0.00           H  
HETATM  100  H   UNL     1      19.402  -1.259   0.270  1.00  0.00           H  
HETATM  101  H   UNL     1      18.567  -2.319  -0.891  1.00  0.00           H  
HETATM  102  H   UNL     1      15.952   0.160  -1.825  1.00  0.00           H  
HETATM  103  H   UNL     1      17.483  -0.090  -2.698  1.00  0.00           H  
HETATM  104  H   UNL     1      16.553  -1.491  -2.114  1.00  0.00           H  
HETATM  105  H   UNL     1     -10.952   1.692  -0.016  1.00  0.00           H  
CONECT    1    2    3    5    4                                       
CONECT    2   20    1                                                 
CONECT    3    1   46   47   48                                       
CONECT    4    1   49   50   51                                       
CONECT    5    6    1   52   53                                       
CONECT    6    7    5   54   55                                       
CONECT    7    8   45   45    6                                       
CONECT    8    9   43   43    7                                       
CONECT    9    8   56   57   58                                       
CONECT   10   11   11   43   59                                       
CONECT   11   12   10   10   60                                       
CONECT   12   13   14   14   11                                       
CONECT   13   12   61   62   63                                       
CONECT   14   15   12   12   64                                       
CONECT   15   16   16   14   65                                       
CONECT   16   17   15   15   66                                       
CONECT   17   18   19   19   16                                       
CONECT   18   17   67   68   69                                       
CONECT   19   21   17   17   70                                       
CONECT   20    2   71   72   73                                       
CONECT   21   22   22   19   74                                       
CONECT   22   23   21   21   75                                       
CONECT   23   24   24   22   76                                       
CONECT   24   26   23   23   25                                       
CONECT   25   24   77   78   79                                       
CONECT   26   27   27   24   80                                       
CONECT   27   28   26   26   81                                       
CONECT   28   29   29   27   82                                       
CONECT   29   32   28   28   30                                       
CONECT   30   29   83   84   85                                       
CONECT   31   44   86   87   88                                       
CONECT   32   33   33   29   89                                       
CONECT   33   34   32   32   90                                       
CONECT   34   35   35   33   91                                       
CONECT   35   37   36   34   34                                       
CONECT   36   35   92   93   94                                       
CONECT   37   38   38   35   95                                       
CONECT   38   39   37   37   96                                       
CONECT   39   40   38   97   98                                       
CONECT   40   41   44   42   39                                       
CONECT   41   40   99  100  101                                       
CONECT   42   40  102  103  104                                       
CONECT   43   10    8    8  105                                       
CONECT   44   31   40                                                 
CONECT   45    7    7                                                 
CONECT   46    3                                                      
CONECT   47    3                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    4                                                      
CONECT   52    5                                                      
CONECT   53    5                                                      
CONECT   54    6                                                      
CONECT   55    6                                                      
CONECT   56    9                                                      
CONECT   57    9                                                      
CONECT   58    9                                                      
CONECT   59   10                                                      
CONECT   60   11                                                      
CONECT   61   13                                                      
CONECT   62   13                                                      
CONECT   63   13                                                      
CONECT   64   14                                                      
CONECT   65   15                                                      
CONECT   66   16                                                      
CONECT   67   18                                                      
CONECT   68   18                                                      
CONECT   69   18                                                      
CONECT   70   19                                                      
CONECT   71   20                                                      
CONECT   72   20                                                      
CONECT   73   20                                                      
CONECT   74   21                                                      
CONECT   75   22                                                      
CONECT   76   23                                                      
CONECT   77   25                                                      
CONECT   78   25                                                      
CONECT   79   25                                                      
CONECT   80   26                                                      
CONECT   81   27                                                      
CONECT   82   28                                                      
CONECT   83   30                                                      
CONECT   84   30                                                      
CONECT   85   30                                                      
CONECT   86   31                                                      
CONECT   87   31                                                      
CONECT   88   31                                                      
CONECT   89   32                                                      
CONECT   90   33                                                      
CONECT   91   34                                                      
CONECT   92   36                                                      
CONECT   93   36                                                      
CONECT   94   36                                                      
CONECT   95   37                                                      
CONECT   96   38                                                      
CONECT   97   39                                                      
CONECT   98   39                                                      
CONECT   99   41                                                      
CONECT  100   41                                                      
CONECT  101   41                                                      
CONECT  102   42                                                      
CONECT  103   42                                                      
CONECT  104   42                                                      
CONECT  105   43                                                      
MASTER        0    0    0    0    0    0    0    0  105    0  105    0
END
