COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.693  -0.676   0.466  1.00  0.00           C  
HETATM    2  O   UNL     1       3.258  -1.068   1.529  1.00  0.00           O  
HETATM    3  C   UNL     1       4.881  -1.360  -0.160  1.00  0.00           C  
HETATM    4  C   UNL     1       5.343  -2.507   0.742  1.00  0.00           C  
HETATM    5  C   UNL     1       6.531  -3.191   0.116  1.00  0.00           C  
HETATM    6  C   UNL     1       6.341  -4.249  -0.753  1.00  0.00           C  
HETATM    7  C   UNL     1       7.431  -4.876  -1.327  1.00  0.00           C  
HETATM    8  C   UNL     1       8.711  -4.444  -1.033  1.00  0.00           C  
HETATM    9  C   UNL     1       8.901  -3.385  -0.165  1.00  0.00           C  
HETATM   10  C   UNL     1       7.810  -2.756   0.405  1.00  0.00           C  
HETATM   11  O   UNL     1       0.854  -0.847  -0.719  1.00  0.00           O  
HETATM   12  C   UNL     1       0.698   0.137  -0.027  1.00  0.00           C  
HETATM   13  C   UNL     1       1.888   0.959   0.393  1.00  0.00           C  
HETATM   14  C   UNL     1       1.732   2.388  -0.133  1.00  0.00           C  
HETATM   15  C   UNL     1       2.851   3.245   0.402  1.00  0.00           C  
HETATM   16  N   UNL     1       2.980   4.520  -0.013  1.00  0.00           N  
HETATM   17  C   UNL     1       2.034   5.074  -0.985  1.00  0.00           C  
HETATM   18  C   UNL     1       0.853   5.704  -0.244  1.00  0.00           C  
HETATM   19  C   UNL     1       4.068   5.353   0.507  1.00  0.00           C  
HETATM   20  C   UNL     1       5.298   5.205  -0.391  1.00  0.00           C  
HETATM   21  O   UNL     1       3.635   2.786   1.207  1.00  0.00           O  
HETATM   22  N   UNL     1       3.110   0.367  -0.157  1.00  0.00           N  
HETATM   23  N   UNL     1      -0.541   0.495   0.364  1.00  0.00           N  
HETATM   24  C   UNL     1      -1.699  -0.305  -0.045  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.934   0.559  -0.038  1.00  0.00           C  
HETATM   26  O   UNL     1      -2.855   1.727   0.277  1.00  0.00           O  
HETATM   27  C   UNL     1      -1.885  -1.468   0.932  1.00  0.00           C  
HETATM   28  C   UNL     1      -8.721  -1.462  -1.615  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.086  -0.624  -2.479  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.269  -1.566  -0.288  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.697  -0.903   1.452  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.150  -0.799   0.126  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.336  -1.736   2.319  1.00  0.00           C  
HETATM   34  N   UNL     1      -4.126   0.033  -0.383  1.00  0.00           N  
HETATM   35  C   UNL     1      -5.326   0.873  -0.377  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.517   0.050  -0.797  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.990   0.133  -2.070  1.00  0.00           C  
HETATM   38  C   UNL     1      -8.436  -2.489   1.912  1.00  0.00           C  
HETATM   39  C   UNL     1      -8.902  -2.414   0.635  1.00  0.00           C  
HETATM   40  H   UNL     1       4.600  -1.755  -1.136  1.00  0.00           H  
HETATM   41  H   UNL     1       5.693  -0.642  -0.278  1.00  0.00           H  
HETATM   42  H   UNL     1       5.623  -2.112   1.718  1.00  0.00           H  
HETATM   43  H   UNL     1       4.531  -3.225   0.860  1.00  0.00           H  
HETATM   44  H   UNL     1       5.341  -4.587  -0.983  1.00  0.00           H  
HETATM   45  H   UNL     1       7.282  -5.704  -2.005  1.00  0.00           H  
HETATM   46  H   UNL     1       9.562  -4.935  -1.481  1.00  0.00           H  
HETATM   47  H   UNL     1       9.900  -3.048   0.064  1.00  0.00           H  
HETATM   48  H   UNL     1       7.958  -1.926   1.081  1.00  0.00           H  
HETATM   49  H   UNL     1       1.951   0.978   1.481  1.00  0.00           H  
HETATM   50  H   UNL     1       1.770   2.380  -1.222  1.00  0.00           H  
HETATM   51  H   UNL     1       0.775   2.793   0.195  1.00  0.00           H  
HETATM   52  H   UNL     1       2.533   5.833  -1.586  1.00  0.00           H  
HETATM   53  H   UNL     1       1.672   4.277  -1.634  1.00  0.00           H  
HETATM   54  H   UNL     1       0.149   6.116  -0.967  1.00  0.00           H  
HETATM   55  H   UNL     1       0.354   4.945   0.357  1.00  0.00           H  
HETATM   56  H   UNL     1       1.215   6.502   0.405  1.00  0.00           H  
HETATM   57  H   UNL     1       3.752   6.396   0.521  1.00  0.00           H  
HETATM   58  H   UNL     1       4.317   5.035   1.519  1.00  0.00           H  
HETATM   59  H   UNL     1       5.614   4.162  -0.406  1.00  0.00           H  
HETATM   60  H   UNL     1       5.049   5.523  -1.404  1.00  0.00           H  
HETATM   61  H   UNL     1       6.107   5.825  -0.005  1.00  0.00           H  
HETATM   62  H   UNL     1       3.499   0.726  -0.970  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.666   1.282   0.917  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.534  -0.696  -1.048  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.050  -1.077   1.936  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.746  -2.063   0.627  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.992  -2.093   0.927  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.572  -2.039  -1.944  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.437  -0.546  -3.498  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.846  -0.326   1.782  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.985  -1.815   3.337  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.491   1.263   0.627  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.193   1.701  -1.072  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.504   0.790  -2.777  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.925  -3.142   2.619  1.00  0.00           H  
HETATM   76  H   UNL     1      -9.755  -3.004   0.333  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.189  -0.902  -0.635  1.00  0.00           H  
CONECT    1   22    2    2    3                                       
CONECT    2    1    1                                                 
CONECT    3    4    1   40   41                                       
CONECT    4    5    3   43   42                                       
CONECT    5    6    4   10   10                                       
CONECT    6    7    7    5   44                                       
CONECT    7    6    6    8   45                                       
CONECT    8    7    9    9   46                                       
CONECT    9    8    8   10   47                                       
CONECT   10    5    5    9   48                                       
CONECT   11   12   12                                                 
CONECT   12   11   11   23   13                                       
CONECT   13   12   14   22   49                                       
CONECT   14   13   15   50   51                                       
CONECT   15   14   16   21   21                                       
CONECT   16   17   15   19                                            
CONECT   17   18   16   52   53                                       
CONECT   18   17   54   55   56                                       
CONECT   19   16   20   57   58                                       
CONECT   20   19   59   60   61                                       
CONECT   21   15   15                                                 
CONECT   22   13    1   62                                            
CONECT   23   24   12   63                                            
CONECT   24   25   27   23   64                                       
CONECT   25   34   24   26   26                                       
CONECT   26   25   25                                                 
CONECT   27   24   65   66   67                                       
CONECT   28   29   29   30   68                                       
CONECT   29   28   28   37   69                                       
CONECT   30   28   39   39   32                                       
CONECT   31   32   32   33   70                                       
CONECT   32   30   36   31   31                                       
CONECT   33   38   38   31   71                                       
CONECT   34   35   25   77                                            
CONECT   35   36   34   72   73                                       
CONECT   36   37   37   32   35                                       
CONECT   37   29   36   36   74                                       
CONECT   38   39   33   33   75                                       
CONECT   39   30   30   38   76                                       
CONECT   40    3                                                      
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    4                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   17                                                      
CONECT   53   17                                                      
CONECT   54   18                                                      
CONECT   55   18                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   20                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   24                                                      
CONECT   65   27                                                      
CONECT   66   27                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   31                                                      
CONECT   71   33                                                      
CONECT   72   35                                                      
CONECT   73   35                                                      
CONECT   74   37                                                      
CONECT   75   38                                                      
CONECT   76   39                                                      
CONECT   77   34                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
