COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.965  -3.764  -0.994  1.00  0.00           O  
HETATM    2  C   UNL     1       3.295  -2.302   0.758  1.00  0.00           C  
HETATM    3  C   UNL     1       5.540  -4.398   0.673  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.182  -0.030   1.536  1.00  0.00           C  
HETATM    5  O   UNL     1      -8.191  -1.909  -1.699  1.00  0.00           O  
HETATM    6  C   UNL     1       6.199  -2.959  -1.134  1.00  0.00           C  
HETATM    7  C   UNL     1       5.225  -3.708  -0.489  1.00  0.00           C  
HETATM    8  C   UNL     1       7.480  -2.904  -0.618  1.00  0.00           C  
HETATM    9  C   UNL     1       7.791  -3.593   0.539  1.00  0.00           C  
HETATM   10  C   UNL     1       6.821  -4.340   1.184  1.00  0.00           C  
HETATM   11  C   UNL     1       3.001  -3.019  -0.391  1.00  0.00           C  
HETATM   12  C   UNL     1       2.314  -1.544   1.370  1.00  0.00           C  
HETATM   13  C   UNL     1       1.242   1.385   1.302  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.026  -0.668   1.507  1.00  0.00           C  
HETATM   15  C   UNL     1       1.040  -1.495   0.836  1.00  0.00           C  
HETATM   16  C   UNL     1       1.401   2.624   0.417  1.00  0.00           C  
HETATM   17  C   UNL     1       4.282   5.154   0.068  1.00  0.00           C  
HETATM   18  C   UNL     1       4.442   6.392  -0.817  1.00  0.00           C  
HETATM   19  C   UNL     1       2.921   4.508  -0.200  1.00  0.00           C  
HETATM   20  C   UNL     1       2.762   3.270   0.685  1.00  0.00           C  
HETATM   21  C   UNL     1       5.803   7.038  -0.549  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.427   0.871   0.809  1.00  0.00           C  
HETATM   23  O   UNL     1      -5.852  -0.738  -0.832  1.00  0.00           O  
HETATM   24  C   UNL     1       5.962   8.276  -1.434  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.176   1.461   1.409  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.234  -0.855  -0.841  1.00  0.00           C  
HETATM   27  C   UNL     1      -9.453  -0.369  -0.399  1.00  0.00           C  
HETATM   28  C   UNL     1      -9.495   0.703   0.474  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.322   1.292   0.907  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.102   0.812   0.470  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.052  -0.265  -0.401  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.725  -0.206  -0.291  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.329  -0.572   0.988  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.962   0.694  -1.020  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.816   1.232  -0.468  1.00  0.00           C  
HETATM   36  N   UNL     1      -0.008   0.694   0.956  1.00  0.00           N  
HETATM   37  C   UNL     1       0.741  -2.203  -0.313  1.00  0.00           C  
HETATM   38  C   UNL     1       1.717  -2.974  -0.925  1.00  0.00           C  
HETATM   39  O   UNL     1       1.423  -3.675  -2.053  1.00  0.00           O  
HETATM   40  H   UNL     1       4.290  -2.338   1.178  1.00  0.00           H  
HETATM   41  H   UNL     1       4.782  -4.978   1.179  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.874  -0.314   2.531  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.205  -1.657  -2.633  1.00  0.00           H  
HETATM   44  H   UNL     1       5.957  -2.421  -2.038  1.00  0.00           H  
HETATM   45  H   UNL     1       8.238  -2.322  -1.120  1.00  0.00           H  
HETATM   46  H   UNL     1       8.792  -3.548   0.941  1.00  0.00           H  
HETATM   47  H   UNL     1       7.067  -4.877   2.088  1.00  0.00           H  
HETATM   48  H   UNL     1       2.544  -0.989   2.268  1.00  0.00           H  
HETATM   49  H   UNL     1       2.085   0.714   1.142  1.00  0.00           H  
HETATM   50  H   UNL     1       1.212   1.688   2.349  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.002  -1.118   1.329  1.00  0.00           H  
HETATM   52  H   UNL     1       0.167  -0.628   2.579  1.00  0.00           H  
HETATM   53  H   UNL     1       1.337   2.332  -0.631  1.00  0.00           H  
HETATM   54  H   UNL     1       0.609   3.337   0.645  1.00  0.00           H  
HETATM   55  H   UNL     1       5.074   4.440  -0.160  1.00  0.00           H  
HETATM   56  H   UNL     1       4.346   5.445   1.116  1.00  0.00           H  
HETATM   57  H   UNL     1       4.378   6.100  -1.865  1.00  0.00           H  
HETATM   58  H   UNL     1       3.650   7.106  -0.589  1.00  0.00           H  
HETATM   59  H   UNL     1       2.129   5.221   0.028  1.00  0.00           H  
HETATM   60  H   UNL     1       2.857   4.216  -1.248  1.00  0.00           H  
HETATM   61  H   UNL     1       2.826   3.561   1.733  1.00  0.00           H  
HETATM   62  H   UNL     1       3.554   2.556   0.457  1.00  0.00           H  
HETATM   63  H   UNL     1       5.867   7.330   0.499  1.00  0.00           H  
HETATM   64  H   UNL     1       6.595   6.324  -0.777  1.00  0.00           H  
HETATM   65  H   UNL     1       5.898   7.984  -2.482  1.00  0.00           H  
HETATM   66  H   UNL     1       5.170   8.990  -1.207  1.00  0.00           H  
HETATM   67  H   UNL     1       6.931   8.736  -1.244  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.075   2.499   1.091  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.240   1.418   2.496  1.00  0.00           H  
HETATM   70  H   UNL     1     -10.371  -0.827  -0.736  1.00  0.00           H  
HETATM   71  H   UNL     1     -10.447   1.081   0.817  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.360   2.129   1.589  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.187   1.274   0.810  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.917  -1.279   1.554  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.268   0.980  -2.016  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.223   1.936  -1.034  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.255  -2.164  -0.728  1.00  0.00           H  
HETATM   78  H   UNL     1       1.109  -4.574  -1.886  1.00  0.00           H  
CONECT    1   11    7                                                 
CONECT    2   11   12   12   40                                       
CONECT    3    7    7   10   41                                       
CONECT    4   22   33   33   42                                       
CONECT    5   26   43                                                 
CONECT    6    7    8    8   44                                       
CONECT    7    1    3    3    6                                       
CONECT    8    6    6    9   45                                       
CONECT    9   10   10    8   46                                       
CONECT   10    3    9    9   47                                       
CONECT   11    1   38   38    2                                       
CONECT   12   15    2    2   48                                       
CONECT   13   36   16   49   50                                       
CONECT   14   15   36   51   52                                       
CONECT   15   37   37   12   14                                       
CONECT   16   13   20   53   54                                       
CONECT   17   19   18   55   56                                       
CONECT   18   17   21   57   58                                       
CONECT   19   20   17   59   60                                       
CONECT   20   16   19   61   62                                       
CONECT   21   18   24   63   64                                       
CONECT   22   25   35   35    4                                       
CONECT   23   32   31                                                 
CONECT   24   21   65   66   67                                       
CONECT   25   36   22   68   69                                       
CONECT   26   31    5   27   27                                       
CONECT   27   26   26   28   70                                       
CONECT   28   29   29   27   71                                       
CONECT   29   30   28   28   72                                       
CONECT   30   31   31   29   73                                       
CONECT   31   23   30   30   26                                       
CONECT   32   34   34   33   23                                       
CONECT   33    4    4   32   74                                       
CONECT   34   35   32   32   75                                       
CONECT   35   22   22   34   76                                       
CONECT   36   14   13   25                                            
CONECT   37   38   15   15   77                                       
CONECT   38   39   11   11   37                                       
CONECT   39   38   78                                                 
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   16                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   25                                                      
CONECT   70   27                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   30                                                      
CONECT   74   33                                                      
CONECT   75   34                                                      
CONECT   76   35                                                      
CONECT   77   37                                                      
CONECT   78   39                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
