COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.619  -1.333   0.675  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.898  -2.391   0.097  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.798  -2.180  -0.748  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.473  -0.957  -1.174  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.419   0.209  -0.876  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.398   0.004   0.251  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.428  -0.331  -1.751  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.224   0.846  -1.084  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.417   1.275  -0.506  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.068   1.624  -0.913  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.133   2.817  -0.178  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.331   3.226   0.380  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.474   2.450   0.215  1.00  0.00           C  
HETATM   14  O   UNL     1      -4.971   0.939   0.773  1.00  0.00           O  
HETATM   15  O   UNL     1      -3.648   2.852   0.763  1.00  0.00           O  
HETATM   16  O   UNL     1       0.982   3.572  -0.014  1.00  0.00           O  
HETATM   17  C   UNL     1       1.207   1.189  -1.502  1.00  0.00           C  
HETATM   18  N   UNL     1       2.042   0.402  -0.795  1.00  0.00           N  
HETATM   19  C   UNL     1      -4.173   0.605  -2.147  1.00  0.00           C  
HETATM   20  O   UNL     1       1.508   1.539  -2.627  1.00  0.00           O  
HETATM   21  C   UNL     1      -5.574  -1.601   1.681  1.00  0.00           C  
HETATM   22  O   UNL     1      -4.277  -3.658   0.364  1.00  0.00           O  
HETATM   23  C   UNL     1      -6.325  -0.466   2.329  1.00  0.00           C  
HETATM   24  O   UNL     1      -5.789  -2.746   2.024  1.00  0.00           O  
HETATM   25  C   UNL     1       0.846   4.775   0.745  1.00  0.00           C  
HETATM   26  C   UNL     1       3.312  -0.031  -1.382  1.00  0.00           C  
HETATM   27  C   UNL     1       4.054  -0.895  -0.394  1.00  0.00           C  
HETATM   28  C   UNL     1       3.861  -2.242  -0.384  1.00  0.00           C  
HETATM   29  C   UNL     1       4.538  -3.057   0.523  1.00  0.00           C  
HETATM   30  C   UNL     1       5.410  -2.529   1.424  1.00  0.00           C  
HETATM   31  C   UNL     1       5.635  -1.141   1.444  1.00  0.00           C  
HETATM   32  C   UNL     1       4.951  -0.313   0.519  1.00  0.00           C  
HETATM   33  C   UNL     1       6.528  -0.560   2.360  1.00  0.00           C  
HETATM   34  C   UNL     1       6.720   0.788   2.350  1.00  0.00           C  
HETATM   35  C   UNL     1       6.044   1.602   1.444  1.00  0.00           C  
HETATM   36  C   UNL     1       5.180   1.073   0.535  1.00  0.00           C  
HETATM   37  C   UNL     1       2.903  -2.862  -1.367  1.00  0.00           C  
HETATM   38  C   UNL     1       3.625  -3.118  -2.691  1.00  0.00           C  
HETATM   39  H   UNL     1      -2.201  -3.024  -1.059  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.379   4.146   0.944  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.796   2.524   1.661  1.00  0.00           H  
HETATM   42  H   UNL     1       1.802   0.123   0.103  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.772  -0.238  -2.492  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.825   1.452  -1.934  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.458   0.883  -2.922  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.763  -4.366  -0.047  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.898   0.069   1.571  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.003  -0.863   3.084  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.617   0.217   2.798  1.00  0.00           H  
HETATM   50  H   UNL     1       1.809   5.282   0.799  1.00  0.00           H  
HETATM   51  H   UNL     1       0.118   5.428   0.263  1.00  0.00           H  
HETATM   52  H   UNL     1       0.505   4.533   1.752  1.00  0.00           H  
HETATM   53  H   UNL     1       3.117  -0.603  -2.289  1.00  0.00           H  
HETATM   54  H   UNL     1       3.917   0.843  -1.625  1.00  0.00           H  
HETATM   55  H   UNL     1       4.367  -4.123   0.510  1.00  0.00           H  
HETATM   56  H   UNL     1       5.926  -3.172   2.121  1.00  0.00           H  
HETATM   57  H   UNL     1       7.058  -1.178   3.068  1.00  0.00           H  
HETATM   58  H   UNL     1       7.407   1.232   3.055  1.00  0.00           H  
HETATM   59  H   UNL     1       6.214   2.669   1.457  1.00  0.00           H  
HETATM   60  H   UNL     1       4.663   1.717  -0.162  1.00  0.00           H  
HETATM   61  H   UNL     1       2.532  -3.806  -0.967  1.00  0.00           H  
HETATM   62  H   UNL     1       2.065  -2.185  -1.535  1.00  0.00           H  
HETATM   63  H   UNL     1       2.931  -3.567  -3.403  1.00  0.00           H  
HETATM   64  H   UNL     1       3.996  -2.174  -3.091  1.00  0.00           H  
HETATM   65  H   UNL     1       4.462  -3.795  -2.524  1.00  0.00           H  
CONECT    1    2    2    6   21                                       
CONECT    2    1    1    3   22                                       
CONECT    3    2    4    4   39                                       
CONECT    4    3    3    5    7                                       
CONECT    5    4    6    9   19                                       
CONECT    6    1    5   14   14                                       
CONECT    7    4    8                                                 
CONECT    8    7    9    9   10                                       
CONECT    9    5    8    8   13                                       
CONECT   10    8   11   11   17                                       
CONECT   11   10   10   12   16                                       
CONECT   12   11   13   13   40                                       
CONECT   13    9   12   12   15                                       
CONECT   14    6    6                                                 
CONECT   15   13   41                                                 
CONECT   16   11   25                                                 
CONECT   17   10   18   20   20                                       
CONECT   18   17   26   42                                            
CONECT   19    5   43   44   45                                       
CONECT   20   17   17                                                 
CONECT   21    1   23   24   24                                       
CONECT   22    2   46                                                 
CONECT   23   21   47   48   49                                       
CONECT   24   21   21                                                 
CONECT   25   16   50   51   52                                       
CONECT   26   18   27   53   54                                       
CONECT   27   26   28   28   32                                       
CONECT   28   27   27   29   37                                       
CONECT   29   28   30   30   55                                       
CONECT   30   29   29   31   56                                       
CONECT   31   30   32   32   33                                       
CONECT   32   27   31   31   36                                       
CONECT   33   31   34   34   57                                       
CONECT   34   33   33   35   58                                       
CONECT   35   34   36   36   59                                       
CONECT   36   32   35   35   60                                       
CONECT   37   28   38   61   62                                       
CONECT   38   37   63   64   65                                       
CONECT   39    3                                                      
CONECT   40   12                                                      
CONECT   41   15                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
CONECT   46   22                                                      
CONECT   47   23                                                      
CONECT   48   23                                                      
CONECT   49   23                                                      
CONECT   50   25                                                      
CONECT   51   25                                                      
CONECT   52   25                                                      
CONECT   53   26                                                      
CONECT   54   26                                                      
CONECT   55   29                                                      
CONECT   56   30                                                      
CONECT   57   33                                                      
CONECT   58   34                                                      
CONECT   59   35                                                      
CONECT   60   36                                                      
CONECT   61   37                                                      
CONECT   62   37                                                      
CONECT   63   38                                                      
CONECT   64   38                                                      
CONECT   65   38                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
