COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.235   0.294   1.448  1.00  0.00           C  
HETATM    2  O   UNL     1      -0.894   0.562   1.085  1.00  0.00           O  
HETATM    3  N   UNL     1       1.244   0.277   0.554  1.00  0.00           N  
HETATM    4  C   UNL     1       0.973   0.441  -0.808  1.00  0.00           C  
HETATM    5  C   UNL     1       1.967   0.943  -1.674  1.00  0.00           C  
HETATM    6  C   UNL     1       1.675   1.095  -3.052  1.00  0.00           C  
HETATM    7  C   UNL     1       0.395   0.753  -3.531  1.00  0.00           C  
HETATM    8  C   UNL     1       3.245   1.279  -1.199  1.00  0.00           C  
HETATM    9  C   UNL     1       4.182   1.754  -2.064  1.00  0.00           C  
HETATM   10  C   UNL     1       3.894   1.909  -3.419  1.00  0.00           C  
HETATM   11  C   UNL     1       2.667   1.589  -3.915  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.548   0.275  -2.667  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.266   0.118  -1.313  1.00  0.00           C  
HETATM   14  N   UNL     1       0.478   0.014   2.744  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.565   0.032   3.669  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.870   0.314   3.405  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.580   0.221   4.605  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.745  -0.107   5.557  1.00  0.00           N  
HETATM   19  N   UNL     1      -0.467  -0.237   4.999  1.00  0.00           N  
HETATM   20  C   UNL     1       0.704  -0.579   5.688  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.443   0.260   6.242  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.396   1.891   4.350  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.838  -0.526   3.903  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.059   0.461   4.774  1.00  0.00           C  
HETATM   25  C   UNL     1       0.944  -0.059   6.953  1.00  0.00           C  
HETATM   26  C   UNL     1       2.099  -0.399   7.630  1.00  0.00           C  
HETATM   27  C   UNL     1       3.016  -1.255   7.049  1.00  0.00           C  
HETATM   28  C   UNL     1       2.783  -1.770   5.787  1.00  0.00           C  
HETATM   29  C   UNL     1       1.627  -1.439   5.107  1.00  0.00           C  
HETATM   30  C   UNL     1       4.275  -1.623   7.790  1.00  0.00           C  
HETATM   31  O   UNL     1       0.100   0.900  -4.849  1.00  0.00           O  
HETATM   32  C   UNL     1      -1.254   0.476  -5.019  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.652   0.616  -6.489  1.00  0.00           C  
HETATM   34  N   UNL     1      -0.770  -0.218  -7.317  1.00  0.00           N  
HETATM   35  C   UNL     1      -1.204  -0.038  -8.709  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.442  -1.010  -9.611  1.00  0.00           C  
HETATM   37  O   UNL     1      -0.758  -2.354  -9.246  1.00  0.00           O  
HETATM   38  C   UNL     1      -0.299  -2.547  -7.909  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.057  -1.614  -6.963  1.00  0.00           C  
HETATM   40  H   UNL     1       2.157   0.151   0.856  1.00  0.00           H  
HETATM   41  H   UNL     1       3.482   1.163  -0.151  1.00  0.00           H  
HETATM   42  H   UNL     1       5.163   2.015  -1.696  1.00  0.00           H  
HETATM   43  H   UNL     1       4.655   2.288  -4.085  1.00  0.00           H  
HETATM   44  H   UNL     1       2.458   1.714  -4.967  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.527   0.015  -3.040  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.029  -0.262  -0.650  1.00  0.00           H  
HETATM   47  H   UNL     1       1.379  -0.198   3.033  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.283   0.568   2.440  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.512   0.433   6.364  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.203  -0.759   6.544  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.888   0.963   6.862  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.840   2.595   4.971  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.122   2.034   3.305  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.465   2.064   4.473  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.598  -1.545   4.206  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.907  -0.353   4.026  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.564  -0.383   2.858  1.00  0.00           H  
HETATM   58  H   UNL     1       0.228   0.609   7.407  1.00  0.00           H  
HETATM   59  H   UNL     1       2.286   0.004   8.614  1.00  0.00           H  
HETATM   60  H   UNL     1       3.501  -2.439   5.336  1.00  0.00           H  
HETATM   61  H   UNL     1       1.443  -1.845   4.124  1.00  0.00           H  
HETATM   62  H   UNL     1       4.096  -2.515   8.391  1.00  0.00           H  
HETATM   63  H   UNL     1       5.073  -1.821   7.075  1.00  0.00           H  
HETATM   64  H   UNL     1       4.568  -0.799   8.441  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.349  -0.566  -4.714  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.908   1.095  -4.405  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.685   0.293  -6.619  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.557   1.658  -6.794  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.273  -0.235  -8.784  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.000   0.984  -9.024  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.727  -0.840 -10.649  1.00  0.00           H  
HETATM   72  H   UNL     1       0.628  -0.846  -9.497  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.471  -3.582  -7.612  1.00  0.00           H  
HETATM   74  H   UNL     1       0.767  -2.328  -7.856  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.740  -1.801  -5.937  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.127  -1.799  -7.051  1.00  0.00           H  
CONECT    1    2    2    3   14                                       
CONECT    2    1    1                                                 
CONECT    3    1    4   40                                            
CONECT    4    3    5    5   13                                       
CONECT    5    4    4    6    8                                       
CONECT    6    5    7    7   11                                       
CONECT    7    6    6   12   31                                       
CONECT    8    5    9    9   41                                       
CONECT    9    8    8   10   42                                       
CONECT   10    9   11   11   43                                       
CONECT   11    6   10   10   44                                       
CONECT   12    7   13   13   45                                       
CONECT   13    4   12   12   46                                       
CONECT   14    1   15   47                                            
CONECT   15   14   16   16   19                                       
CONECT   16   15   15   17   48                                       
CONECT   17   16   18   18   24                                       
CONECT   18   17   17   19                                            
CONECT   19   15   18   20                                            
CONECT   20   19   25   25   29                                       
CONECT   21   24   49   50   51                                       
CONECT   22   24   52   53   54                                       
CONECT   23   24   55   56   57                                       
CONECT   24   17   21   22   23                                       
CONECT   25   20   20   26   58                                       
CONECT   26   25   27   27   59                                       
CONECT   27   26   26   28   30                                       
CONECT   28   27   29   29   60                                       
CONECT   29   20   28   28   61                                       
CONECT   30   27   62   63   64                                       
CONECT   31    7   32                                                 
CONECT   32   31   33   65   66                                       
CONECT   33   32   34   67   68                                       
CONECT   34   33   35   39                                            
CONECT   35   34   36   69   70                                       
CONECT   36   35   37   71   72                                       
CONECT   37   36   38                                                 
CONECT   38   37   39   73   74                                       
CONECT   39   34   38   75   76                                       
CONECT   40    3                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   16                                                      
CONECT   49   21                                                      
CONECT   50   21                                                      
CONECT   51   21                                                      
CONECT   52   22                                                      
CONECT   53   22                                                      
CONECT   54   22                                                      
CONECT   55   23                                                      
CONECT   56   23                                                      
CONECT   57   23                                                      
CONECT   58   25                                                      
CONECT   59   26                                                      
CONECT   60   28                                                      
CONECT   61   29                                                      
CONECT   62   30                                                      
CONECT   63   30                                                      
CONECT   64   30                                                      
CONECT   65   32                                                      
CONECT   66   32                                                      
CONECT   67   33                                                      
CONECT   68   33                                                      
CONECT   69   35                                                      
CONECT   70   35                                                      
CONECT   71   36                                                      
CONECT   72   36                                                      
CONECT   73   38                                                      
CONECT   74   38                                                      
CONECT   75   39                                                      
CONECT   76   39                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
