COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.532   3.642   2.282  1.00  0.00           O  
HETATM    2  O   UNL     1       5.627   1.730   2.112  1.00  0.00           O  
HETATM    3  C   UNL     1       5.149   2.692   1.561  1.00  0.00           C  
HETATM    4  C   UNL     1       5.246   2.827   0.063  1.00  0.00           C  
HETATM    5  C   UNL     1       6.006   4.109  -0.286  1.00  0.00           C  
HETATM    6  C   UNL     1       5.977   4.323  -1.800  1.00  0.00           C  
HETATM    7  C   UNL     1       5.991   1.621  -0.511  1.00  0.00           C  
HETATM    8  C   UNL     1       5.156   0.380  -0.325  1.00  0.00           C  
HETATM    9  C   UNL     1       4.147   0.086  -1.223  1.00  0.00           C  
HETATM   10  C   UNL     1       3.380  -1.051  -1.055  1.00  0.00           C  
HETATM   11  C   UNL     1       3.623  -1.898   0.017  1.00  0.00           C  
HETATM   12  C   UNL     1       4.637  -1.601   0.917  1.00  0.00           C  
HETATM   13  C   UNL     1       5.404  -0.466   0.741  1.00  0.00           C  
HETATM   14  O   UNL     1       2.870  -3.016   0.185  1.00  0.00           O  
HETATM   15  C   UNL     1       3.177  -3.842   1.310  1.00  0.00           C  
HETATM   16  C   UNL     1       2.231  -5.045   1.333  1.00  0.00           C  
HETATM   17  C   UNL     1       2.560  -5.929   2.538  1.00  0.00           C  
HETATM   18  C   UNL     1       2.280  -1.370  -2.034  1.00  0.00           C  
HETATM   19  N   UNL     1       0.990  -0.966  -1.468  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.144  -1.156  -2.172  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.096  -1.663  -3.275  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.445  -0.748  -1.601  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.621  -0.944  -2.327  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.832  -0.561  -1.788  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.882   0.016  -0.532  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.720   0.212   0.193  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.503  -0.171  -0.331  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.209   0.432   0.050  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.990   1.038   1.438  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.337   1.460   2.028  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.249   0.238   2.144  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.468  -0.368   0.756  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.122  -0.791   0.165  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.862   1.472  -0.863  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.209   1.894  -0.273  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.122   0.672  -0.157  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.990   2.500   1.115  1.00  0.00           C  
HETATM   38  H   UNL     1       4.496   3.511   3.239  1.00  0.00           H  
HETATM   39  H   UNL     1       4.244   2.872  -0.363  1.00  0.00           H  
HETATM   40  H   UNL     1       5.534   4.957   0.210  1.00  0.00           H  
HETATM   41  H   UNL     1       7.040   4.021   0.049  1.00  0.00           H  
HETATM   42  H   UNL     1       6.580   5.195  -2.056  1.00  0.00           H  
HETATM   43  H   UNL     1       6.382   3.443  -2.299  1.00  0.00           H  
HETATM   44  H   UNL     1       4.949   4.484  -2.125  1.00  0.00           H  
HETATM   45  H   UNL     1       6.175   1.779  -1.574  1.00  0.00           H  
HETATM   46  H   UNL     1       6.942   1.500   0.008  1.00  0.00           H  
HETATM   47  H   UNL     1       3.958   0.746  -2.057  1.00  0.00           H  
HETATM   48  H   UNL     1       4.828  -2.258   1.752  1.00  0.00           H  
HETATM   49  H   UNL     1       6.196  -0.236   1.438  1.00  0.00           H  
HETATM   50  H   UNL     1       4.207  -4.191   1.234  1.00  0.00           H  
HETATM   51  H   UNL     1       3.055  -3.266   2.227  1.00  0.00           H  
HETATM   52  H   UNL     1       1.201  -4.696   1.408  1.00  0.00           H  
HETATM   53  H   UNL     1       2.353  -5.621   0.416  1.00  0.00           H  
HETATM   54  H   UNL     1       1.886  -6.785   2.554  1.00  0.00           H  
HETATM   55  H   UNL     1       3.590  -6.278   2.462  1.00  0.00           H  
HETATM   56  H   UNL     1       2.438  -5.353   3.455  1.00  0.00           H  
HETATM   57  H   UNL     1       2.454  -0.830  -2.964  1.00  0.00           H  
HETATM   58  H   UNL     1       2.270  -2.442  -2.232  1.00  0.00           H  
HETATM   59  H   UNL     1       0.952  -0.561  -0.587  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.583  -1.393  -3.308  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.743  -0.712  -2.349  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.767   0.663   1.173  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.598  -0.021   0.237  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.524   0.297   2.088  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.340   1.909   1.355  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.180   1.892   3.017  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.784  -0.503   2.794  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.208   0.539   2.564  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.118  -1.239   0.838  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.278  -1.222  -0.823  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.656  -1.531   0.816  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.212   2.343  -0.945  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.018   1.040  -1.852  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.674   2.635  -0.923  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.278   0.240  -1.146  1.00  0.00           H  
HETATM   76  H   UNL     1      -9.081   0.973   0.264  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.949   2.801   1.536  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.340   3.371   1.033  1.00  0.00           H  
CONECT    1    3   38                                                 
CONECT    2    3    3                                                 
CONECT    3    1    2    2    4                                       
CONECT    4    3    5    7   39                                       
CONECT    5    4    6   40   41                                       
CONECT    6    5   42   43   44                                       
CONECT    7    4    8   45   46                                       
CONECT    8    7    9    9   13                                       
CONECT    9    8    8   10   47                                       
CONECT   10    9   11   11   18                                       
CONECT   11   10   10   12   14                                       
CONECT   12   11   13   13   48                                       
CONECT   13    8   12   12   49                                       
CONECT   14   11   15                                                 
CONECT   15   14   16   50   51                                       
CONECT   16   15   17   52   53                                       
CONECT   17   16   54   55   56                                       
CONECT   18   10   19   57   58                                       
CONECT   19   18   20   59                                            
CONECT   20   19   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   23   23   27                                       
CONECT   23   22   22   24   60                                       
CONECT   24   23   25   25   61                                       
CONECT   25   24   24   26   28                                       
CONECT   26   25   27   27   62                                       
CONECT   27   22   26   26   63                                       
CONECT   28   25   29   33   34                                       
CONECT   29   28   30   64   65                                       
CONECT   30   29   31   37   66                                       
CONECT   31   30   32   67   68                                       
CONECT   32   31   33   36   69                                       
CONECT   33   28   32   70   71                                       
CONECT   34   28   35   72   73                                       
CONECT   35   34   36   37   74                                       
CONECT   36   32   35   75   76                                       
CONECT   37   30   35   77   78                                       
CONECT   38    1                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    9                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   15                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   17                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   26                                                      
CONECT   63   27                                                      
CONECT   64   29                                                      
CONECT   65   29                                                      
CONECT   66   30                                                      
CONECT   67   31                                                      
CONECT   68   31                                                      
CONECT   69   32                                                      
CONECT   70   33                                                      
CONECT   71   33                                                      
CONECT   72   34                                                      
CONECT   73   34                                                      
CONECT   74   35                                                      
CONECT   75   36                                                      
CONECT   76   36                                                      
CONECT   77   37                                                      
CONECT   78   37                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
