COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.392  -2.286  -1.165  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.948  -3.748  -1.256  1.00  0.00           C  
HETATM    3  N   UNL     1      -4.402  -4.471  -0.059  1.00  0.00           N  
HETATM    4  C   UNL     1      -5.868  -4.521   0.001  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.845  -3.868   1.159  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.288  -2.406   1.250  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.835  -1.683   0.054  1.00  0.00           N  
HETATM    8  C   UNL     1      -4.177  -0.257   0.139  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.689   0.460  -1.122  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.045   1.946  -1.033  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.502   0.357   1.368  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.858   1.842   1.456  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.371   2.559   0.196  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.918   2.411   0.080  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.259   1.216  -0.019  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.026   3.449   0.051  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.144   4.775   0.109  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.080   5.547   0.058  1.00  0.00           C  
HETATM   19  N   UNL     1       1.145   5.067  -0.053  1.00  0.00           N  
HETATM   20  C   UNL     1       1.364   3.756  -0.118  1.00  0.00           C  
HETATM   21  N   UNL     1       2.649   3.257  -0.234  1.00  0.00           N  
HETATM   22  C   UNL     1       0.260   2.894  -0.066  1.00  0.00           C  
HETATM   23  C   UNL     1       0.075   1.438  -0.110  1.00  0.00           C  
HETATM   24  C   UNL     1       1.139   0.412  -0.229  1.00  0.00           C  
HETATM   25  C   UNL     1       1.171  -0.666   0.654  1.00  0.00           C  
HETATM   26  C   UNL     1       2.162  -1.619   0.541  1.00  0.00           C  
HETATM   27  C   UNL     1       2.106   0.521  -1.227  1.00  0.00           C  
HETATM   28  C   UNL     1       3.095  -0.435  -1.335  1.00  0.00           C  
HETATM   29  C   UNL     1       3.127  -1.505  -0.451  1.00  0.00           C  
HETATM   30  O   UNL     1       4.102  -2.446  -0.560  1.00  0.00           O  
HETATM   31  C   UNL     1       5.348  -2.126  -0.124  1.00  0.00           C  
HETATM   32  C   UNL     1       6.402  -3.006  -0.324  1.00  0.00           C  
HETATM   33  C   UNL     1       7.668  -2.679   0.121  1.00  0.00           C  
HETATM   34  C   UNL     1       7.886  -1.475   0.765  1.00  0.00           C  
HETATM   35  C   UNL     1       6.838  -0.596   0.966  1.00  0.00           C  
HETATM   36  C   UNL     1       5.571  -0.916   0.518  1.00  0.00           C  
HETATM   37  H   UNL     1      -4.031  -1.742  -2.037  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.383  -4.206  -2.144  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.861  -3.795  -1.319  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.251  -5.032  -0.882  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.177  -5.061   0.896  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.265  -3.506   0.034  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.205  -4.412   2.032  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.756  -3.916   1.125  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.376  -2.359   1.313  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.258  -0.147   0.225  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.608   0.350  -1.207  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.698   2.457  -1.931  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.126   2.056  -0.947  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.849  -0.154   2.266  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.421   0.247   1.282  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.939   1.952   1.542  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.378   2.279   2.332  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.625   3.617   0.259  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.730   0.244  -0.025  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.214   6.617   0.107  1.00  0.00           H  
HETATM   57  H   UNL     1       3.404   3.864  -0.268  1.00  0.00           H  
HETATM   58  H   UNL     1       2.794   2.299  -0.280  1.00  0.00           H  
HETATM   59  H   UNL     1       0.421  -0.756   1.426  1.00  0.00           H  
HETATM   60  H   UNL     1       2.188  -2.455   1.224  1.00  0.00           H  
HETATM   61  H   UNL     1       2.082   1.353  -1.915  1.00  0.00           H  
HETATM   62  H   UNL     1       3.844  -0.351  -2.108  1.00  0.00           H  
HETATM   63  H   UNL     1       6.232  -3.947  -0.827  1.00  0.00           H  
HETATM   64  H   UNL     1       8.488  -3.364  -0.034  1.00  0.00           H  
HETATM   65  H   UNL     1       8.877  -1.221   1.112  1.00  0.00           H  
HETATM   66  H   UNL     1       7.011   0.344   1.469  1.00  0.00           H  
HETATM   67  H   UNL     1       4.753  -0.227   0.671  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.480  -2.239  -1.130  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.853  -1.948   2.139  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.170   0.023  -1.997  1.00  0.00           H  
CONECT    1    7    2   37   68                                       
CONECT    2    3    1   38   39                                       
CONECT    3    5    4    2                                            
CONECT    4    3   40   41   42                                       
CONECT    5    6    3   43   44                                       
CONECT    6    5    7   45   69                                       
CONECT    7    8    6    1                                            
CONECT    8   11    7    9   46                                       
CONECT    9    8   10   47   70                                       
CONECT   10   13    9   48   49                                       
CONECT   11   12    8   50   51                                       
CONECT   12   11   13   52   53                                       
CONECT   13   12   14   10   54                                       
CONECT   14   13   16   15                                            
CONECT   15   14   23   23   55                                       
CONECT   16   17   14   22   22                                       
CONECT   17   18   18   16                                            
CONECT   18   17   17   19   56                                       
CONECT   19   18   20   20                                            
CONECT   20   19   19   22   21                                       
CONECT   21   20   57   58                                            
CONECT   22   16   16   20   23                                       
CONECT   23   22   15   15   24                                       
CONECT   24   23   27   25   25                                       
CONECT   25   24   24   26   59                                       
CONECT   26   29   29   25   60                                       
CONECT   27   28   28   24   61                                       
CONECT   28   27   27   29   62                                       
CONECT   29   28   30   26   26                                       
CONECT   30   29   31                                                 
CONECT   31   30   36   36   32                                       
CONECT   32   31   33   33   63                                       
CONECT   33   32   32   34   64                                       
CONECT   34   35   35   33   65                                       
CONECT   35   36   34   34   66                                       
CONECT   36   31   31   35   67                                       
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    2                                                      
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   15                                                      
CONECT   56   18                                                      
CONECT   57   21                                                      
CONECT   58   21                                                      
CONECT   59   25                                                      
CONECT   60   26                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
CONECT   63   32                                                      
CONECT   64   33                                                      
CONECT   65   34                                                      
CONECT   66   35                                                      
CONECT   67   36                                                      
CONECT   68    1                                                      
CONECT   69    6                                                      
CONECT   70    9                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
