COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.496  -4.509   2.885  1.00  0.00           C  
HETATM    2  C   UNL     1       4.583  -3.433   1.833  1.00  0.00           C  
HETATM    3  O   UNL     1       5.116  -2.380   2.089  1.00  0.00           O  
HETATM    4  C   UNL     1       4.006  -3.671   0.462  1.00  0.00           C  
HETATM    5  C   UNL     1       4.925  -4.609  -0.323  1.00  0.00           C  
HETATM    6  C   UNL     1       4.288  -4.946  -1.647  1.00  0.00           C  
HETATM    7  O   UNL     1       4.919  -5.760  -2.507  1.00  0.00           O  
HETATM    8  O   UNL     1       3.209  -4.483  -1.933  1.00  0.00           O  
HETATM    9  N   UNL     1       3.889  -2.395  -0.248  1.00  0.00           N  
HETATM   10  C   UNL     1       2.802  -1.620  -0.066  1.00  0.00           C  
HETATM   11  O   UNL     1       1.920  -1.978   0.685  1.00  0.00           O  
HETATM   12  C   UNL     1       2.683  -0.307  -0.796  1.00  0.00           C  
HETATM   13  C   UNL     1       3.809   0.614  -0.384  1.00  0.00           C  
HETATM   14  C   UNL     1       3.729   1.388   0.666  1.00  0.00           C  
HETATM   15  C   UNL     1       4.899   2.276   1.004  1.00  0.00           C  
HETATM   16  C   UNL     1       4.673   3.666   0.406  1.00  0.00           C  
HETATM   17  C   UNL     1       5.798   4.602   0.853  1.00  0.00           C  
HETATM   18  C   UNL     1       5.572   5.992   0.255  1.00  0.00           C  
HETATM   19  C   UNL     1       5.566   5.896  -1.272  1.00  0.00           C  
HETATM   20  C   UNL     1       4.441   4.959  -1.719  1.00  0.00           C  
HETATM   21  C   UNL     1       4.667   3.569  -1.121  1.00  0.00           C  
HETATM   22  C   UNL     1       2.506   1.424   1.553  1.00  0.00           C  
HETATM   23  N   UNL     1       1.336   1.188   0.701  1.00  0.00           N  
HETATM   24  N   UNL     1       1.422   0.350  -0.437  1.00  0.00           N  
HETATM   25  C   UNL     1       0.217   0.329  -1.003  1.00  0.00           C  
HETATM   26  O   UNL     1      -0.091  -0.287  -2.004  1.00  0.00           O  
HETATM   27  N   UNL     1      -0.606   1.112  -0.270  1.00  0.00           N  
HETATM   28  C   UNL     1      -2.021   1.357  -0.557  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.875   0.305   0.154  1.00  0.00           C  
HETATM   30  N   UNL     1      -4.291   0.549  -0.133  1.00  0.00           N  
HETATM   31  C   UNL     1      -5.234  -0.258   0.391  1.00  0.00           C  
HETATM   32  O   UNL     1      -4.910  -1.190   1.101  1.00  0.00           O  
HETATM   33  C   UNL     1      -6.661  -0.012   0.102  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.032   1.059  -0.722  1.00  0.00           C  
HETATM   35  C   UNL     1      -8.347   1.298  -0.996  1.00  0.00           C  
HETATM   36  C   UNL     1      -9.332   0.477  -0.459  1.00  0.00           C  
HETATM   37  N   UNL     1     -10.707   0.455  -0.543  1.00  0.00           N  
HETATM   38  C   UNL     1     -11.144  -0.595   0.205  1.00  0.00           C  
HETATM   39  N   UNL     1     -10.133  -1.215   0.740  1.00  0.00           N  
HETATM   40  C   UNL     1      -8.977  -0.603   0.370  1.00  0.00           C  
HETATM   41  C   UNL     1      -7.633  -0.847   0.644  1.00  0.00           C  
HETATM   42  C   UNL     1       0.083   1.633   0.769  1.00  0.00           C  
HETATM   43  O   UNL     1      -0.364   2.379   1.618  1.00  0.00           O  
HETATM   44  H   UNL     1       3.986  -5.379   2.473  1.00  0.00           H  
HETATM   45  H   UNL     1       5.501  -4.792   3.200  1.00  0.00           H  
HETATM   46  H   UNL     1       3.939  -4.133   3.743  1.00  0.00           H  
HETATM   47  H   UNL     1       3.019  -4.125   0.557  1.00  0.00           H  
HETATM   48  H   UNL     1       5.883  -4.119  -0.495  1.00  0.00           H  
HETATM   49  H   UNL     1       5.083  -5.525   0.248  1.00  0.00           H  
HETATM   50  H   UNL     1       4.471  -5.946  -3.344  1.00  0.00           H  
HETATM   51  H   UNL     1       4.595  -2.108  -0.848  1.00  0.00           H  
HETATM   52  H   UNL     1       2.718  -0.477  -1.872  1.00  0.00           H  
HETATM   53  H   UNL     1       4.710   0.634  -0.978  1.00  0.00           H  
HETATM   54  H   UNL     1       4.992   2.357   2.087  1.00  0.00           H  
HETATM   55  H   UNL     1       5.812   1.847   0.592  1.00  0.00           H  
HETATM   56  H   UNL     1       3.716   4.058   0.749  1.00  0.00           H  
HETATM   57  H   UNL     1       5.802   4.671   1.941  1.00  0.00           H  
HETATM   58  H   UNL     1       6.755   4.210   0.510  1.00  0.00           H  
HETATM   59  H   UNL     1       4.615   6.384   0.599  1.00  0.00           H  
HETATM   60  H   UNL     1       6.373   6.659   0.574  1.00  0.00           H  
HETATM   61  H   UNL     1       5.405   6.886  -1.698  1.00  0.00           H  
HETATM   62  H   UNL     1       6.523   5.503  -1.615  1.00  0.00           H  
HETATM   63  H   UNL     1       3.484   5.352  -1.375  1.00  0.00           H  
HETATM   64  H   UNL     1       4.437   4.891  -2.807  1.00  0.00           H  
HETATM   65  H   UNL     1       5.624   3.177  -1.464  1.00  0.00           H  
HETATM   66  H   UNL     1       3.866   2.902  -1.439  1.00  0.00           H  
HETATM   67  H   UNL     1       2.575   0.643   2.311  1.00  0.00           H  
HETATM   68  H   UNL     1       2.425   2.399   2.033  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.298   2.350  -0.201  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.190   1.296  -1.632  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.598  -0.688  -0.202  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.706   0.366   1.229  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.549   1.293  -0.700  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.271   1.701  -1.142  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.623   2.126  -1.631  1.00  0.00           H  
HETATM   76  H   UNL     1     -12.179  -0.873   0.336  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.348  -1.676   1.275  1.00  0.00           H  
HETATM   78  H   UNL     1     -11.262   1.074  -1.043  1.00  0.00           H  
CONECT    1    2   44   45   46                                       
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5    9   47                                       
CONECT    5    4    6   48   49                                       
CONECT    6    5    8    8    7                                       
CONECT    7    6   50                                                 
CONECT    8    6    6                                                 
CONECT    9    4   10   51                                            
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   24   52                                       
CONECT   13   12   14   14   53                                       
CONECT   14   13   13   15   22                                       
CONECT   15   14   16   54   55                                       
CONECT   16   15   17   21   56                                       
CONECT   17   16   18   57   58                                       
CONECT   18   17   19   59   60                                       
CONECT   19   18   20   61   62                                       
CONECT   20   19   21   63   64                                       
CONECT   21   16   20   65   66                                       
CONECT   22   14   23   67   68                                       
CONECT   23   22   24   42                                            
CONECT   24   12   23   25                                            
CONECT   25   24   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   42   28                                            
CONECT   28   27   29   69   70                                       
CONECT   29   28   30   71   72                                       
CONECT   30   29   31   73                                            
CONECT   31   30   33   32   32                                       
CONECT   32   31   31                                                 
CONECT   33   31   34   34   41                                       
CONECT   34   33   33   35   74                                       
CONECT   35   34   36   36   75                                       
CONECT   36   35   35   37   40                                       
CONECT   37   36   38   78                                            
CONECT   38   37   39   39   76                                       
CONECT   39   38   38   40                                            
CONECT   40   36   39   41   41                                       
CONECT   41   33   40   40   77                                       
CONECT   42   23   27   43   43                                       
CONECT   43   42   42                                                 
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    7                                                      
CONECT   51    9                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   22                                                      
CONECT   69   28                                                      
CONECT   70   28                                                      
CONECT   71   29                                                      
CONECT   72   29                                                      
CONECT   73   30                                                      
CONECT   74   34                                                      
CONECT   75   35                                                      
CONECT   76   38                                                      
CONECT   77   41                                                      
CONECT   78   37                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
