COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.830  -1.024  -0.560  1.00  0.00           C  
HETATM    2  C   UNL     1      11.763   3.304   4.168  1.00  0.00           C  
HETATM    3  C   UNL     1       8.053  -0.475  -0.175  1.00  0.00           C  
HETATM    4  C   UNL     1       8.843  -1.140   0.752  1.00  0.00           C  
HETATM    5  C   UNL     1       9.851   2.319   2.432  1.00  0.00           C  
HETATM    6  C   UNL     1       8.415  -2.338   1.292  1.00  0.00           C  
HETATM    7  C   UNL     1       9.275  -3.058   2.298  1.00  0.00           C  
HETATM    8  C   UNL     1       9.474   1.384   0.166  1.00  0.00           C  
HETATM    9  C   UNL     1       8.808   1.783   1.485  1.00  0.00           C  
HETATM   10  C   UNL     1      10.146   3.670   2.441  1.00  0.00           C  
HETATM   11  C   UNL     1      11.103   4.162   3.309  1.00  0.00           C  
HETATM   12  N   UNL     1       8.482   0.746  -0.709  1.00  0.00           N  
HETATM   13  N   UNL     1       7.104   3.406  -2.661  1.00  0.00           N  
HETATM   14  C   UNL     1       6.407  -2.224  -0.012  1.00  0.00           C  
HETATM   15  N   UNL     1       5.735   1.528  -2.798  1.00  0.00           N  
HETATM   16  C   UNL     1       6.740  -4.184   1.507  1.00  0.00           C  
HETATM   17  C   UNL     1      11.467   1.954   4.160  1.00  0.00           C  
HETATM   18  C   UNL     1      10.511   1.462   3.291  1.00  0.00           C  
HETATM   19  C   UNL     1       7.344   1.636  -0.950  1.00  0.00           C  
HETATM   20  C   UNL     1       7.773   2.914  -1.604  1.00  0.00           C  
HETATM   21  C   UNL     1       6.060   2.747  -3.191  1.00  0.00           C  
HETATM   22  C   UNL     1       7.200  -2.879   0.912  1.00  0.00           C  
HETATM   23  C   UNL     1       6.320   0.931  -1.796  1.00  0.00           C  
HETATM   24  C   UNL     1       4.922  -1.055  -2.170  1.00  0.00           C  
HETATM   25  C   UNL     1       3.644  -0.865  -1.351  1.00  0.00           C  
HETATM   26  C   UNL     1       2.513  -1.687  -1.972  1.00  0.00           C  
HETATM   27  C   UNL     1       1.235  -1.496  -1.154  1.00  0.00           C  
HETATM   28  C   UNL     1       0.138  -2.413  -1.700  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.245  -2.217   1.297  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.833  -0.922   1.861  1.00  0.00           C  
HETATM   31  C   UNL     1      -9.024   0.965   1.323  1.00  0.00           C  
HETATM   32  C   UNL     1      -9.766   1.270  -1.070  1.00  0.00           C  
HETATM   33  C   UNL     1     -10.824   3.160  -0.969  1.00  0.00           C  
HETATM   34  C   UNL     1     -11.553   4.346  -1.162  1.00  0.00           C  
HETATM   35  C   UNL     1     -11.313   4.820   1.084  1.00  0.00           C  
HETATM   36  C   UNL     1     -10.360   2.870   0.326  1.00  0.00           C  
HETATM   37  C   UNL     1     -10.037   0.089   2.093  1.00  0.00           C  
HETATM   38  C   UNL     1      -9.235  -1.181   2.455  1.00  0.00           C  
HETATM   39  N   UNL     1       6.033  -0.365  -1.509  1.00  0.00           N  
HETATM   40  N   UNL     1      -9.693   1.676   0.229  1.00  0.00           N  
HETATM   41  N   UNL     1     -10.430   2.142  -1.771  1.00  0.00           N  
HETATM   42  N   UNL     1     -12.035   4.684  -2.414  1.00  0.00           N  
HETATM   43  N   UNL     1     -11.768   5.135  -0.115  1.00  0.00           N  
HETATM   44  N   UNL     1     -10.625   3.720   1.312  1.00  0.00           N  
HETATM   45  O   UNL     1       8.737   3.511  -1.175  1.00  0.00           O  
HETATM   46  O   UNL     1      -5.683  -3.732  -0.946  1.00  0.00           O  
HETATM   47  O   UNL     1      -4.683  -4.265   1.309  1.00  0.00           O  
HETATM   48  O   UNL     1      -5.906  -1.982   0.859  1.00  0.00           O  
HETATM   49  O   UNL     1      -8.052   0.034   0.800  1.00  0.00           O  
HETATM   50  O   UNL     1     -10.478   0.757   3.277  1.00  0.00           O  
HETATM   51  O   UNL     1      -9.156  -1.336   3.874  1.00  0.00           O  
HETATM   52  O   UNL     1       5.402   3.285  -4.062  1.00  0.00           O  
HETATM   53  O   UNL     1       3.282   0.518  -1.348  1.00  0.00           O  
HETATM   54  O   UNL     1       2.875  -3.069  -1.975  1.00  0.00           O  
HETATM   55  O   UNL     1       1.492  -1.823   0.213  1.00  0.00           O  
HETATM   56  O   UNL     1      -1.087  -2.152  -1.012  1.00  0.00           O  
HETATM   57  O   UNL     1      -2.936  -2.593  -2.829  1.00  0.00           O  
HETATM   58  O   UNL     1      -2.229  -4.395  -1.209  1.00  0.00           O  
HETATM   59  O   UNL     1      -3.592  -2.482  -0.285  1.00  0.00           O  
HETATM   60  P   UNL     1      -2.456  -2.937  -1.331  1.00  0.00           P  
HETATM   61  P   UNL     1      -4.981  -3.128   0.209  1.00  0.00           P  
HETATM   62  H   UNL     1      12.514   3.688   4.844  1.00  0.00           H  
HETATM   63  H   UNL     1       9.793  -0.722   1.050  1.00  0.00           H  
HETATM   64  H   UNL     1       9.017  -2.722   3.303  1.00  0.00           H  
HETATM   65  H   UNL     1       9.105  -4.131   2.220  1.00  0.00           H  
HETATM   66  H   UNL     1      10.325  -2.840   2.101  1.00  0.00           H  
HETATM   67  H   UNL     1       9.872   2.273  -0.323  1.00  0.00           H  
HETATM   68  H   UNL     1      10.286   0.685   0.366  1.00  0.00           H  
HETATM   69  H   UNL     1       8.330   0.910   1.929  1.00  0.00           H  
HETATM   70  H   UNL     1       8.059   2.551   1.296  1.00  0.00           H  
HETATM   71  H   UNL     1       9.631   4.340   1.769  1.00  0.00           H  
HETATM   72  H   UNL     1      11.334   5.217   3.316  1.00  0.00           H  
HETATM   73  H   UNL     1       7.374   4.256  -3.043  1.00  0.00           H  
HETATM   74  H   UNL     1       5.458  -2.649  -0.307  1.00  0.00           H  
HETATM   75  H   UNL     1       6.163  -3.988   2.412  1.00  0.00           H  
HETATM   76  H   UNL     1       6.115  -4.712   0.786  1.00  0.00           H  
HETATM   77  H   UNL     1       7.607  -4.797   1.755  1.00  0.00           H  
HETATM   78  H   UNL     1      11.983   1.284   4.831  1.00  0.00           H  
HETATM   79  H   UNL     1      10.280   0.407   3.284  1.00  0.00           H  
HETATM   80  H   UNL     1       6.888   1.878   0.010  1.00  0.00           H  
HETATM   81  H   UNL     1       5.150  -2.118  -2.246  1.00  0.00           H  
HETATM   82  H   UNL     1       4.780  -0.641  -3.168  1.00  0.00           H  
HETATM   83  H   UNL     1       3.815  -1.197  -0.327  1.00  0.00           H  
HETATM   84  H   UNL     1       2.342  -1.354  -2.996  1.00  0.00           H  
HETATM   85  H   UNL     1       0.909  -0.458  -1.225  1.00  0.00           H  
HETATM   86  H   UNL     1       0.004  -2.225  -2.765  1.00  0.00           H  
HETATM   87  H   UNL     1       0.426  -3.454  -1.548  1.00  0.00           H  
HETATM   88  H   UNL     1      -7.244  -2.983   2.073  1.00  0.00           H  
HETATM   89  H   UNL     1      -7.849  -2.554   0.455  1.00  0.00           H  
HETATM   90  H   UNL     1      -7.170  -0.504   2.619  1.00  0.00           H  
HETATM   91  H   UNL     1      -8.545   1.675   1.998  1.00  0.00           H  
HETATM   92  H   UNL     1      -9.332   0.361  -1.461  1.00  0.00           H  
HETATM   93  H   UNL     1     -11.510   5.490   1.908  1.00  0.00           H  
HETATM   94  H   UNL     1     -10.885  -0.163   1.457  1.00  0.00           H  
HETATM   95  H   UNL     1      -9.687  -2.061   1.998  1.00  0.00           H  
HETATM   96  H   UNL     1     -11.872   4.100  -3.171  1.00  0.00           H  
HETATM   97  H   UNL     1     -12.537   5.505  -2.535  1.00  0.00           H  
HETATM   98  H   UNL     1      -4.224  -3.941   2.096  1.00  0.00           H  
HETATM   99  H   UNL     1     -11.116   0.251   3.799  1.00  0.00           H  
HETATM  100  H   UNL     1     -10.009  -1.501   4.299  1.00  0.00           H  
HETATM  101  H   UNL     1       3.114   0.882  -2.228  1.00  0.00           H  
HETATM  102  H   UNL     1       3.043  -3.434  -1.095  1.00  0.00           H  
HETATM  103  H   UNL     1       1.786  -2.733   0.352  1.00  0.00           H  
HETATM  104  H   UNL     1      -3.104  -1.653  -2.981  1.00  0.00           H  
CONECT    1   39    3    3   14                                       
CONECT    2   17   17   11   62                                       
CONECT    3   12    1    1    4                                       
CONECT    4    3    6    6   63                                       
CONECT    5   18   18   10    9                                       
CONECT    6    4    4   22    7                                       
CONECT    7    6   64   65   66                                       
CONECT    8    9   12   67   68                                       
CONECT    9    5    8   69   70                                       
CONECT   10   11   11    5   71                                       
CONECT   11    2   10   10   72                                       
CONECT   12    3    8   19                                            
CONECT   13   21   20   73                                            
CONECT   14    1   22   22   74                                       
CONECT   15   23   23   21                                            
CONECT   16   22   75   76   77                                       
CONECT   17    2    2   18   78                                       
CONECT   18   17    5    5   79                                       
CONECT   19   12   23   20   80                                       
CONECT   20   13   19   45   45                                       
CONECT   21   15   13   52   52                                       
CONECT   22   14   14    6   16                                       
CONECT   23   39   15   15   19                                       
CONECT   24   39   25   81   82                                       
CONECT   25   24   26   53   83                                       
CONECT   26   54   25   27   84                                       
CONECT   27   26   28   55   85                                       
CONECT   28   27   56   86   87                                       
CONECT   29   48   30   88   89                                       
CONECT   30   29   49   38   90                                       
CONECT   31   49   40   37   91                                       
CONECT   32   41   41   40   92                                       
CONECT   33   41   34   34   36                                       
CONECT   34   42   33   33   43                                       
CONECT   35   43   43   44   93                                       
CONECT   36   33   40   44   44                                       
CONECT   37   31   38   50   94                                       
CONECT   38   30   37   51   95                                       
CONECT   39   24    1   23                                            
CONECT   40   32   36   31                                            
CONECT   41   32   32   33                                            
CONECT   42   34   96   97                                            
CONECT   43   34   35   35                                            
CONECT   44   36   36   35                                            
CONECT   45   20   20                                                 
CONECT   46   61   61                                                 
CONECT   47   61   98                                                 
CONECT   48   61   29                                                 
CONECT   49   30   31                                                 
CONECT   50   37   99                                                 
CONECT   51   38  100                                                 
CONECT   52   21   21                                                 
CONECT   53   25  101                                                 
CONECT   54   26  102                                                 
CONECT   55   27  103                                                 
CONECT   56   28   60                                                 
CONECT   57   60  104                                                 
CONECT   58   60   60                                                 
CONECT   59   60   61                                                 
CONECT   60   58   58   59   56                                       
CONECT   60   57                                                      
CONECT   61   59   46   46   47                                       
CONECT   61   48                                                      
CONECT   62    2                                                      
CONECT   63    4                                                      
CONECT   64    7                                                      
CONECT   65    7                                                      
CONECT   66    7                                                      
CONECT   67    8                                                      
CONECT   68    8                                                      
CONECT   69    9                                                      
CONECT   70    9                                                      
CONECT   71   10                                                      
CONECT   72   11                                                      
CONECT   73   13                                                      
CONECT   74   14                                                      
CONECT   75   16                                                      
CONECT   76   16                                                      
CONECT   77   16                                                      
CONECT   78   17                                                      
CONECT   79   18                                                      
CONECT   80   19                                                      
CONECT   81   24                                                      
CONECT   82   24                                                      
CONECT   83   25                                                      
CONECT   84   26                                                      
CONECT   85   27                                                      
CONECT   86   28                                                      
CONECT   87   28                                                      
CONECT   88   29                                                      
CONECT   89   29                                                      
CONECT   90   30                                                      
CONECT   91   31                                                      
CONECT   92   32                                                      
CONECT   93   35                                                      
CONECT   94   37                                                      
CONECT   95   38                                                      
CONECT   96   42                                                      
CONECT   97   42                                                      
CONECT   98   47                                                      
CONECT   99   50                                                      
CONECT  100   51                                                      
CONECT  101   53                                                      
CONECT  102   54                                                      
CONECT  103   55                                                      
CONECT  104   57                                                      
MASTER        0    0    0    0    0    0    0    0  104    0  104    0
END
