COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.383   1.933  -0.007  1.00  0.00           C  
HETATM    2  O   UNL     1       1.658   2.056   0.958  1.00  0.00           O  
HETATM    3  C   UNL     1      -2.864   1.884  -0.225  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.621   0.727  -0.095  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.006  -0.554   0.253  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.676  -0.574   0.489  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.041  -1.884   0.729  1.00  0.00           C  
HETATM    8  C   UNL     1       0.282  -1.997   0.757  1.00  0.00           C  
HETATM    9  C   UNL     1       1.201  -0.834   0.572  1.00  0.00           C  
HETATM   10  C   UNL     1       0.509   0.292  -0.209  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.805   0.636   0.488  1.00  0.00           C  
HETATM   12  C   UNL     1       1.411   1.512  -0.340  1.00  0.00           C  
HETATM   13  C   UNL     1       2.753   1.130  -0.994  1.00  0.00           C  
HETATM   14  C   UNL     1       3.383   0.043  -0.148  1.00  0.00           C  
HETATM   15  C   UNL     1       2.453  -1.202  -0.196  1.00  0.00           C  
HETATM   16  C   UNL     1       3.343  -2.275   0.440  1.00  0.00           C  
HETATM   17  C   UNL     1       4.734  -1.993  -0.191  1.00  0.00           C  
HETATM   18  C   UNL     1       4.726  -0.504  -0.619  1.00  0.00           C  
HETATM   19  C   UNL     1       3.503   0.523   1.299  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.420   0.879   1.949  1.00  0.00           C  
HETATM   21  C   UNL     1       5.855   0.238   0.048  1.00  0.00           C  
HETATM   22  C   UNL     1       6.419   1.482  -0.588  1.00  0.00           C  
HETATM   23  N   UNL     1      -4.913   1.050  -0.350  1.00  0.00           N  
HETATM   24  O   UNL     1       4.833  -0.397  -2.040  1.00  0.00           O  
HETATM   25  O   UNL     1       6.307  -0.164   1.093  1.00  0.00           O  
HETATM   26  O   UNL     1       7.471   2.000   0.228  1.00  0.00           O  
HETATM   27  C   UNL     1      -3.733   2.908  -0.575  1.00  0.00           C  
HETATM   28  N   UNL     1      -4.950   2.421  -0.651  1.00  0.00           N  
HETATM   29  C   UNL     1      -7.246   0.631   0.118  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.008   0.178  -0.319  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.323  -0.233   0.152  1.00  0.00           C  
HETATM   32  C   UNL     1      -8.169  -1.548  -0.248  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.858  -1.141  -0.725  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.937  -2.002  -0.683  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.901  -3.103   0.946  1.00  0.00           C  
HETATM   36  C   UNL     1       4.948  -2.889  -1.412  1.00  0.00           C  
HETATM   37  H   UNL     1      -0.901   2.192  -0.950  1.00  0.00           H  
HETATM   38  H   UNL     1       2.227   2.837   0.955  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.597  -1.456   0.320  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.163   2.713   0.722  1.00  0.00           H  
HETATM   41  H   UNL     1       0.712  -2.974   0.921  1.00  0.00           H  
HETATM   42  H   UNL     1       1.487  -0.448   1.551  1.00  0.00           H  
HETATM   43  H   UNL     1       0.269  -0.073  -1.208  1.00  0.00           H  
HETATM   44  H   UNL     1       0.914   2.262  -0.955  1.00  0.00           H  
HETATM   45  H   UNL     1       2.579   0.758  -2.004  1.00  0.00           H  
HETATM   46  H   UNL     1       3.408   2.000  -1.028  1.00  0.00           H  
HETATM   47  H   UNL     1       2.207  -1.456  -1.227  1.00  0.00           H  
HETATM   48  H   UNL     1       3.380  -2.153   1.523  1.00  0.00           H  
HETATM   49  H   UNL     1       2.995  -3.273   0.175  1.00  0.00           H  
HETATM   50  H   UNL     1       5.521  -2.166   0.544  1.00  0.00           H  
HETATM   51  H   UNL     1       2.507   0.628   1.731  1.00  0.00           H  
HETATM   52  H   UNL     1       4.074  -0.204   1.877  1.00  0.00           H  
HETATM   53  H   UNL     1       4.012   1.486   1.322  1.00  0.00           H  
HETATM   54  H   UNL     1       0.209   0.061   2.299  1.00  0.00           H  
HETATM   55  H   UNL     1       0.126   1.818   2.030  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.323   0.930   2.558  1.00  0.00           H  
HETATM   57  H   UNL     1       6.811   1.239  -1.576  1.00  0.00           H  
HETATM   58  H   UNL     1       5.632   2.230  -0.683  1.00  0.00           H  
HETATM   59  H   UNL     1       5.668  -0.729  -2.398  1.00  0.00           H  
HETATM   60  H   UNL     1       7.882   2.802  -0.121  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.454   3.935  -0.755  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.365   1.656   0.435  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.286   0.118   0.492  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.012  -2.222  -0.219  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.897  -1.496  -1.066  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.821  -3.029  -0.995  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.103  -3.580  -0.013  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.380  -3.804   1.598  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.842  -2.806   1.410  1.00  0.00           H  
HETATM   70  H   UNL     1       4.158  -2.707  -2.140  1.00  0.00           H  
HETATM   71  H   UNL     1       5.915  -2.665  -1.862  1.00  0.00           H  
HETATM   72  H   UNL     1       4.924  -3.935  -1.104  1.00  0.00           H  
CONECT    1   11    3   37   40                                       
CONECT    2   12   38                                                 
CONECT    3    1    4    4   27                                       
CONECT    4    3    3    5   23                                       
CONECT    5    4    6    6   39                                       
CONECT    6    5    5    7   11                                       
CONECT    7    6   35    8    8                                       
CONECT    8    7    7    9   41                                       
CONECT    9    8   15   10   42                                       
CONECT   10    9   11   12   43                                       
CONECT   11    1    6   10   20                                       
CONECT   12    2   10   13   44                                       
CONECT   13   12   14   45   46                                       
CONECT   14   13   15   19   18                                       
CONECT   15    9   14   16   47                                       
CONECT   16   15   17   48   49                                       
CONECT   17   16   36   18   50                                       
CONECT   18   14   17   24   21                                       
CONECT   19   14   51   52   53                                       
CONECT   20   11   54   55   56                                       
CONECT   21   18   25   25   22                                       
CONECT   22   21   26   57   58                                       
CONECT   23    4   30   28                                            
CONECT   24   18   59                                                 
CONECT   25   21   21                                                 
CONECT   26   22   60                                                 
CONECT   27    3   28   28   61                                       
CONECT   28   23   27   27                                            
CONECT   29   31   31   30   62                                       
CONECT   30   23   29   33   33                                       
CONECT   31   29   29   32   63                                       
CONECT   32   31   34   34   64                                       
CONECT   33   30   30   34   65                                       
CONECT   34   32   32   33   66                                       
CONECT   35    7   67   68   69                                       
CONECT   36   17   70   71   72                                       
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    5                                                      
CONECT   40    1                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   13                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   16                                                      
CONECT   50   17                                                      
CONECT   51   19                                                      
CONECT   52   19                                                      
CONECT   53   19                                                      
CONECT   54   20                                                      
CONECT   55   20                                                      
CONECT   56   20                                                      
CONECT   57   22                                                      
CONECT   58   22                                                      
CONECT   59   24                                                      
CONECT   60   26                                                      
CONECT   61   27                                                      
CONECT   62   29                                                      
CONECT   63   31                                                      
CONECT   64   32                                                      
CONECT   65   33                                                      
CONECT   66   34                                                      
CONECT   67   35                                                      
CONECT   68   35                                                      
CONECT   69   35                                                      
CONECT   70   36                                                      
CONECT   71   36                                                      
CONECT   72   36                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
