COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.601   0.228   0.475  1.00  0.00           O  
HETATM    2  C   UNL     1       2.607   1.428   0.280  1.00  0.00           C  
HETATM    3  N   UNL     1       3.774   2.102   0.265  1.00  0.00           N  
HETATM    4  C   UNL     1       4.968   1.441   0.568  1.00  0.00           C  
HETATM    5  C   UNL     1       5.151   0.123   0.174  1.00  0.00           C  
HETATM    6  C   UNL     1       6.338  -0.530   0.477  1.00  0.00           C  
HETATM    7  C   UNL     1       7.338   0.138   1.173  1.00  0.00           C  
HETATM    8  C   UNL     1       7.152   1.450   1.564  1.00  0.00           C  
HETATM    9  C   UNL     1       5.975   2.105   1.259  1.00  0.00           C  
HETATM   10  N   UNL     1       6.526  -1.857   0.083  1.00  0.00           N  
HETATM   11  C   UNL     1       7.846  -2.349   0.504  1.00  0.00           C  
HETATM   12  C   UNL     1       7.986  -3.820   0.106  1.00  0.00           C  
HETATM   13  O   UNL     1       7.786  -3.949  -1.304  1.00  0.00           O  
HETATM   14  C   UNL     1       6.510  -3.479  -1.749  1.00  0.00           C  
HETATM   15  C   UNL     1       6.354  -2.004  -1.370  1.00  0.00           C  
HETATM   16  C   UNL     1       1.335   2.145   0.052  1.00  0.00           C  
HETATM   17  C   UNL     1       1.340   3.524  -0.174  1.00  0.00           C  
HETATM   18  C   UNL     1       0.152   4.194  -0.387  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.047   3.508  -0.378  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.338   4.249  -0.612  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.065   2.131  -0.155  1.00  0.00           C  
HETATM   22  C   UNL     1       0.128   1.447   0.055  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.353   1.397  -0.146  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.711   0.632   0.969  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.893  -0.048   0.989  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.755   0.018  -0.109  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.404   0.785  -1.234  1.00  0.00           C  
HETATM   28  O   UNL     1      -5.410   0.665  -2.125  1.00  0.00           O  
HETATM   29  C   UNL     1      -3.203   1.477  -1.243  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.063  -0.574  -0.404  1.00  0.00           C  
HETATM   31  N   UNL     1      -6.413  -0.174  -1.588  1.00  0.00           N  
HETATM   32  C   UNL     1      -6.855  -1.480   0.502  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.081  -2.827  -0.191  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.938  -3.721   0.708  1.00  0.00           C  
HETATM   35  N   UNL     1      -9.224  -3.064   0.970  1.00  0.00           N  
HETATM   36  C   UNL     1      -9.036  -1.791   1.678  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.212  -0.839   0.808  1.00  0.00           C  
HETATM   38  H   UNL     1       3.785   3.047   0.044  1.00  0.00           H  
HETATM   39  H   UNL     1       4.372  -0.394  -0.366  1.00  0.00           H  
HETATM   40  H   UNL     1       8.262  -0.370   1.409  1.00  0.00           H  
HETATM   41  H   UNL     1       7.931   1.967   2.105  1.00  0.00           H  
HETATM   42  H   UNL     1       5.834   3.132   1.561  1.00  0.00           H  
HETATM   43  H   UNL     1       8.625  -1.764   0.016  1.00  0.00           H  
HETATM   44  H   UNL     1       7.942  -2.254   1.586  1.00  0.00           H  
HETATM   45  H   UNL     1       8.984  -4.174   0.365  1.00  0.00           H  
HETATM   46  H   UNL     1       7.241  -4.414   0.635  1.00  0.00           H  
HETATM   47  H   UNL     1       6.440  -3.586  -2.832  1.00  0.00           H  
HETATM   48  H   UNL     1       5.721  -4.062  -1.273  1.00  0.00           H  
HETATM   49  H   UNL     1       5.361  -1.658  -1.656  1.00  0.00           H  
HETATM   50  H   UNL     1       7.110  -1.413  -1.887  1.00  0.00           H  
HETATM   51  H   UNL     1       2.274   4.066  -0.181  1.00  0.00           H  
HETATM   52  H   UNL     1       0.160   5.260  -0.560  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.609   4.184  -1.666  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.127   3.802  -0.006  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.213   5.295  -0.332  1.00  0.00           H  
HETATM   56  H   UNL     1       0.119   0.381   0.225  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.046   0.579   1.819  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.162  -0.637   1.853  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.926   2.072  -2.101  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.307  -1.637   1.431  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.594  -2.666  -1.140  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.120  -3.308  -0.373  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.112  -4.675   0.210  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.418  -3.892   1.650  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.743  -2.929   0.115  1.00  0.00           H  
HETATM   66  H   UNL     1     -10.008  -1.344   1.886  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.511  -1.972   2.616  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.059   0.100   1.340  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.742  -0.647  -0.124  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   16                                       
CONECT    3    2    4   38                                            
CONECT    4    3    5    5    9                                       
CONECT    5    4    4    6   39                                       
CONECT    6    5    7    7   10                                       
CONECT    7    6    6    8   40                                       
CONECT    8    7    9    9   41                                       
CONECT    9    4    8    8   42                                       
CONECT   10    6   11   15                                            
CONECT   11   10   12   43   44                                       
CONECT   12   11   13   45   46                                       
CONECT   13   12   14                                                 
CONECT   14   13   15   47   48                                       
CONECT   15   10   14   49   50                                       
CONECT   16    2   17   17   22                                       
CONECT   17   16   16   18   51                                       
CONECT   18   17   19   19   52                                       
CONECT   19   18   18   20   21                                       
CONECT   20   19   53   54   55                                       
CONECT   21   19   22   22   23                                       
CONECT   22   16   21   21   56                                       
CONECT   23   21   24   24   29                                       
CONECT   24   23   23   25   57                                       
CONECT   25   24   26   26   58                                       
CONECT   26   25   25   27   30                                       
CONECT   27   26   28   29   29                                       
CONECT   28   27   31                                                 
CONECT   29   23   27   27   59                                       
CONECT   30   26   31   31   32                                       
CONECT   31   28   30   30                                            
CONECT   32   30   33   37   60                                       
CONECT   33   32   34   61   62                                       
CONECT   34   33   35   63   64                                       
CONECT   35   34   36   65                                            
CONECT   36   35   37   66   67                                       
CONECT   37   32   36   68   69                                       
CONECT   38    3                                                      
CONECT   39    5                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43   11                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   12                                                      
CONECT   47   14                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   20                                                      
CONECT   54   20                                                      
CONECT   55   20                                                      
CONECT   56   22                                                      
CONECT   57   24                                                      
CONECT   58   25                                                      
CONECT   59   29                                                      
CONECT   60   32                                                      
CONECT   61   33                                                      
CONECT   62   33                                                      
CONECT   63   34                                                      
CONECT   64   34                                                      
CONECT   65   35                                                      
CONECT   66   36                                                      
CONECT   67   36                                                      
CONECT   68   37                                                      
CONECT   69   37                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
