COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.702   1.503  -0.298  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.095   1.390   0.014  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.237   1.298   0.271  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.669   1.182   0.592  1.00  0.00           C  
HETATM    5  N   UNL     1      -5.202  -0.052   0.010  1.00  0.00           N  
HETATM    6  C   UNL     1       1.271   0.622  -1.347  1.00  0.00           C  
HETATM    7  N   UNL     1       2.694  -1.346  -1.258  1.00  0.00           N  
HETATM    8  O   UNL     1       3.315   1.827  -1.201  1.00  0.00           O  
HETATM    9  C   UNL     1       0.029   2.604   0.152  1.00  0.00           C  
HETATM   10  C   UNL     1       1.953  -0.451  -2.157  1.00  0.00           C  
HETATM   11  N   UNL     1       4.330  -4.606   0.858  1.00  0.00           N  
HETATM   12  C   UNL     1       3.559  -2.257  -2.018  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.071   0.510  -1.048  1.00  0.00           C  
HETATM   14  C   UNL     1       1.370   2.709  -0.152  1.00  0.00           C  
HETATM   15  C   UNL     1       1.993   1.720  -0.904  1.00  0.00           C  
HETATM   16  C   UNL     1       4.420  -3.071  -1.050  1.00  0.00           C  
HETATM   17  C   UNL     1       3.510  -3.868  -0.111  1.00  0.00           C  
HETATM   18  C   UNL     1       3.487  -5.383   1.777  1.00  0.00           C  
HETATM   19  C   UNL     1       4.325  -5.844   2.972  1.00  0.00           C  
HETATM   20  C   UNL     1       5.301  -5.472   0.176  1.00  0.00           C  
HETATM   21  C   UNL     1       4.562  -6.418  -0.773  1.00  0.00           C  
HETATM   22  C   UNL     1       2.585  -2.900   0.633  1.00  0.00           C  
HETATM   23  C   UNL     1       1.778  -2.090  -0.384  1.00  0.00           C  
HETATM   24  I   UNL     1       2.469   4.360   0.522  1.00  0.00           I  
HETATM   25  C   UNL     1      -6.501  -0.370   0.176  1.00  0.00           C  
HETATM   26  O   UNL     1      -6.990  -1.504  -0.359  1.00  0.00           O  
HETATM   27  C   UNL     1      -8.399  -1.782  -0.139  1.00  0.00           C  
HETATM   28  C   UNL     1      -9.240  -0.650  -0.733  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.769  -3.103  -0.817  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.670  -1.885   1.363  1.00  0.00           C  
HETATM   31  O   UNL     1      -7.230   0.368   0.809  1.00  0.00           O  
HETATM   32  H   UNL     1      -0.455   3.373   0.736  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.632  -0.346  -1.394  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.798   1.159   1.674  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.204   2.038   0.181  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.619  -0.641  -0.495  1.00  0.00           H  
HETATM   37  H   UNL     1       1.205  -1.024  -2.705  1.00  0.00           H  
HETATM   38  H   UNL     1       2.645   0.011  -2.861  1.00  0.00           H  
HETATM   39  H   UNL     1       2.944  -2.932  -2.612  1.00  0.00           H  
HETATM   40  H   UNL     1       4.205  -1.678  -2.679  1.00  0.00           H  
HETATM   41  H   UNL     1       1.129  -1.390   0.142  1.00  0.00           H  
HETATM   42  H   UNL     1       1.170  -2.766  -0.986  1.00  0.00           H  
HETATM   43  H   UNL     1       3.495   2.291  -2.030  1.00  0.00           H  
HETATM   44  H   UNL     1       2.912  -4.570  -0.692  1.00  0.00           H  
HETATM   45  H   UNL     1       2.664  -4.761   2.129  1.00  0.00           H  
HETATM   46  H   UNL     1       3.088  -6.253   1.256  1.00  0.00           H  
HETATM   47  H   UNL     1       5.997  -4.857  -0.394  1.00  0.00           H  
HETATM   48  H   UNL     1       5.851  -6.054   0.914  1.00  0.00           H  
HETATM   49  H   UNL     1       5.051  -3.758  -1.614  1.00  0.00           H  
HETATM   50  H   UNL     1       5.046  -2.398  -0.465  1.00  0.00           H  
HETATM   51  H   UNL     1       1.905  -3.464   1.271  1.00  0.00           H  
HETATM   52  H   UNL     1       3.182  -2.224   1.244  1.00  0.00           H  
HETATM   53  H   UNL     1       4.781  -4.978   3.451  1.00  0.00           H  
HETATM   54  H   UNL     1       3.684  -6.360   3.687  1.00  0.00           H  
HETATM   55  H   UNL     1       5.106  -6.522   2.628  1.00  0.00           H  
HETATM   56  H   UNL     1       3.908  -7.073  -0.197  1.00  0.00           H  
HETATM   57  H   UNL     1       3.965  -5.835  -1.475  1.00  0.00           H  
HETATM   58  H   UNL     1       5.286  -7.019  -1.323  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.047  -0.577  -1.803  1.00  0.00           H  
HETATM   60  H   UNL     1     -10.297  -0.859  -0.568  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.976   0.291  -0.250  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.170  -3.909  -0.394  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.826  -3.311  -0.652  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.576  -3.029  -1.887  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.406  -0.944   1.845  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.727  -2.094   1.528  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.071  -2.691   1.786  1.00  0.00           H  
CONECT    1    2    9   13   13                                       
CONECT    2    1    3    3    3                                       
CONECT    3    2    2    2    4                                       
CONECT    4    3    5   34   35                                       
CONECT    5    4   25   36                                            
CONECT    6   10   13   15   15                                       
CONECT    7   10   12   23                                            
CONECT    8   15   43                                                 
CONECT    9    1   14   14   32                                       
CONECT   10    6    7   37   38                                       
CONECT   11   17   18   20                                            
CONECT   12    7   16   39   40                                       
CONECT   13    1    1    6   33                                       
CONECT   14    9    9   15   24                                       
CONECT   15    6    6    8   14                                       
CONECT   16   12   17   49   50                                       
CONECT   17   11   16   22   44                                       
CONECT   18   11   19   45   46                                       
CONECT   19   18   53   54   55                                       
CONECT   20   11   21   47   48                                       
CONECT   21   20   56   57   58                                       
CONECT   22   17   23   51   52                                       
CONECT   23    7   22   41   42                                       
CONECT   24   14                                                      
CONECT   25    5   26   31   31                                       
CONECT   26   25   27                                                 
CONECT   27   26   28   29   30                                       
CONECT   28   27   59   60   61                                       
CONECT   29   27   62   63   64                                       
CONECT   30   27   65   66   67                                       
CONECT   31   25   25                                                 
CONECT   32    9                                                      
CONECT   33   13                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   23                                                      
CONECT   42   23                                                      
CONECT   43    8                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   18                                                      
CONECT   47   20                                                      
CONECT   48   20                                                      
CONECT   49   16                                                      
CONECT   50   16                                                      
CONECT   51   22                                                      
CONECT   52   22                                                      
CONECT   53   19                                                      
CONECT   54   19                                                      
CONECT   55   19                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   21                                                      
CONECT   59   28                                                      
CONECT   60   28                                                      
CONECT   61   28                                                      
CONECT   62   29                                                      
CONECT   63   29                                                      
CONECT   64   29                                                      
CONECT   65   30                                                      
CONECT   66   30                                                      
CONECT   67   30                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
