COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -4.628  -2.643  -0.464  1.00  0.00           C  
HETATM    2  C   UNL     1       2.942   1.367   0.329  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.077  -2.611   0.033  1.00  0.00           C  
HETATM    4  C   UNL     1       6.196  -2.251   0.097  1.00  0.00           C  
HETATM    5  C   UNL     1       7.233  -2.953  -0.781  1.00  0.00           C  
HETATM    6  C   UNL     1       6.835  -1.867   1.433  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.250  -1.483   1.051  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.064  -0.127   0.361  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.690  -0.102  -0.278  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.864   0.956  -0.137  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.543   0.943  -0.769  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.727   1.988  -0.630  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.112   3.221   0.175  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.298  -1.291  -1.063  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.012   3.583   1.170  1.00  0.00           C  
HETATM   16  C   UNL     1       0.374   3.609   0.504  1.00  0.00           C  
HETATM   17  C   UNL     1       0.628   2.236  -0.074  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.362   2.030  -1.249  1.00  0.00           C  
HETATM   19  C   UNL     1       0.161   0.723  -1.849  1.00  0.00           C  
HETATM   20  C   UNL     1       1.703   0.920  -1.812  1.00  0.00           C  
HETATM   21  C   UNL     1       1.983   1.958  -0.707  1.00  0.00           C  
HETATM   22  C   UNL     1       0.358   1.178   0.998  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.683  -1.179  -2.241  1.00  0.00           C  
HETATM   24  O   UNL     1      -7.560  -1.551   1.618  1.00  0.00           O  
HETATM   25  C   UNL     1       3.077   2.324   1.515  1.00  0.00           C  
HETATM   26  C   UNL     1       4.325   1.131  -0.314  1.00  0.00           C  
HETATM   27  C   UNL     1       4.755  -0.221   0.318  1.00  0.00           C  
HETATM   28  C   UNL     1       5.698  -0.989  -0.611  1.00  0.00           C  
HETATM   29  C   UNL     1       3.387  -0.937   0.441  1.00  0.00           C  
HETATM   30  O   UNL     1      -3.749  -2.912   0.631  1.00  0.00           O  
HETATM   31  O   UNL     1       2.450   0.100   0.780  1.00  0.00           O  
HETATM   32  O   UNL     1       5.095  -3.131   0.331  1.00  0.00           O  
HETATM   33  H   UNL     1      -4.517  -3.418  -1.223  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.746  -2.443  -0.811  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.320  -3.563   0.503  1.00  0.00           H  
HETATM   36  H   UNL     1       7.587  -3.852  -0.277  1.00  0.00           H  
HETATM   37  H   UNL     1       6.777  -3.226  -1.733  1.00  0.00           H  
HETATM   38  H   UNL     1       8.073  -2.281  -0.960  1.00  0.00           H  
HETATM   39  H   UNL     1       7.674  -1.196   1.255  1.00  0.00           H  
HETATM   40  H   UNL     1       6.096  -1.367   2.059  1.00  0.00           H  
HETATM   41  H   UNL     1       7.189  -2.766   1.938  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.508  -1.591   1.842  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.828   0.002  -0.406  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.142   0.673   1.096  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.177   1.811   0.443  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.230   0.088  -1.349  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.270   4.059  -0.505  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.036   3.022   0.718  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.222   4.566   1.591  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.005   2.847   1.975  1.00  0.00           H  
HETATM   51  H   UNL     1       0.388   4.354  -0.291  1.00  0.00           H  
HETATM   52  H   UNL     1       1.137   3.844   1.246  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.288   2.848  -1.964  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.134  -0.129  -1.236  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.189   0.601  -2.874  1.00  0.00           H  
HETATM   56  H   UNL     1       2.196  -0.024  -1.581  1.00  0.00           H  
HETATM   57  H   UNL     1       2.054   1.301  -2.771  1.00  0.00           H  
HETATM   58  H   UNL     1       2.398   2.873  -1.128  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.664   1.281   1.361  1.00  0.00           H  
HETATM   60  H   UNL     1       0.494   0.185   0.571  1.00  0.00           H  
HETATM   61  H   UNL     1       1.053   1.315   1.827  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.408  -2.066  -2.792  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.461  -0.202  -2.643  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.741  -0.864   2.274  1.00  0.00           H  
HETATM   65  H   UNL     1       2.087   2.572   1.897  1.00  0.00           H  
HETATM   66  H   UNL     1       3.661   1.846   2.302  1.00  0.00           H  
HETATM   67  H   UNL     1       3.581   3.235   1.192  1.00  0.00           H  
HETATM   68  H   UNL     1       4.240   1.043  -1.397  1.00  0.00           H  
HETATM   69  H   UNL     1       5.020   1.925  -0.042  1.00  0.00           H  
HETATM   70  H   UNL     1       5.210  -0.070   1.297  1.00  0.00           H  
HETATM   71  H   UNL     1       6.548  -0.357  -0.869  1.00  0.00           H  
HETATM   72  H   UNL     1       5.164  -1.268  -1.519  1.00  0.00           H  
HETATM   73  H   UNL     1       3.115  -1.399  -0.508  1.00  0.00           H  
HETATM   74  H   UNL     1       3.422  -1.687   1.232  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.815  -2.947   0.385  1.00  0.00           H  
HETATM   76  H   UNL     1       5.337  -3.954   0.778  1.00  0.00           H  
CONECT    1    3   14   30   33                                       
CONECT    2   21   25   26   31                                       
CONECT    3    1    7   34   35                                       
CONECT    4    5    6   28   32                                       
CONECT    5    4   36   37   38                                       
CONECT    6    4   39   40   41                                       
CONECT    7    3    8   24   42                                       
CONECT    8    7    9   43   44                                       
CONECT    9    8   10   10   14                                       
CONECT   10    9    9   11   45                                       
CONECT   11   10   12   12   46                                       
CONECT   12   11   11   13   18                                       
CONECT   13   12   15   47   48                                       
CONECT   14    1    9   23   23                                       
CONECT   15   13   16   49   50                                       
CONECT   16   15   17   51   52                                       
CONECT   17   16   18   21   22                                       
CONECT   18   12   17   19   53                                       
CONECT   19   18   20   54   55                                       
CONECT   20   19   21   56   57                                       
CONECT   21    2   17   20   58                                       
CONECT   22   17   59   60   61                                       
CONECT   23   14   14   62   63                                       
CONECT   24    7   64                                                 
CONECT   25    2   65   66   67                                       
CONECT   26    2   27   68   69                                       
CONECT   27   26   28   29   70                                       
CONECT   28    4   27   71   72                                       
CONECT   29   27   31   73   74                                       
CONECT   30    1   75                                                 
CONECT   31    2   29                                                 
CONECT   32    4   76                                                 
CONECT   33    1                                                      
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    8                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   13                                                      
CONECT   48   13                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   22                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   23                                                      
CONECT   64   24                                                      
CONECT   65   25                                                      
CONECT   66   25                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   26                                                      
CONECT   70   27                                                      
CONECT   71   28                                                      
CONECT   72   28                                                      
CONECT   73   29                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   32                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
