COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.432  -0.152   0.567  1.00  0.00           N  
HETATM    2  N   UNL     1      -6.228  -0.243  -0.320  1.00  0.00           N  
HETATM    3  C   UNL     1       2.396   0.282   1.530  1.00  0.00           C  
HETATM    4  C   UNL     1       1.802   1.597   0.993  1.00  0.00           C  
HETATM    5  C   UNL     1       0.336   1.425   0.692  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.597   2.228   1.322  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.941   2.073   1.049  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.417   0.308  -0.496  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.976   0.706   0.774  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.929  -0.117  -1.121  1.00  0.00           C  
HETATM   11  C   UNL     1       4.545  -0.819   1.256  1.00  0.00           C  
HETATM   12  C   UNL     1       5.366  -2.711   0.090  1.00  0.00           C  
HETATM   13  C   UNL     1       6.175  -3.413  -0.788  1.00  0.00           C  
HETATM   14  C   UNL     1       7.157  -2.758  -1.505  1.00  0.00           C  
HETATM   15  C   UNL     1       6.530  -0.693  -0.470  1.00  0.00           C  
HETATM   16  F   UNL     1       6.704   0.638  -0.315  1.00  0.00           F  
HETATM   17  C   UNL     1       7.335  -1.397  -1.347  1.00  0.00           C  
HETATM   18  C   UNL     1       5.543  -1.350   0.250  1.00  0.00           C  
HETATM   19  C   UNL     1       4.238  -3.189   0.979  1.00  0.00           C  
HETATM   20  C   UNL     1       4.035  -2.063   2.015  1.00  0.00           C  
HETATM   21  C   UNL     1       3.894   1.085  -0.115  1.00  0.00           C  
HETATM   22  C   UNL     1       2.586   1.893  -0.307  1.00  0.00           C  
HETATM   23  N   UNL     1       2.874   3.328  -0.425  1.00  0.00           N  
HETATM   24  C   UNL     1       3.814   3.588  -1.523  1.00  0.00           C  
HETATM   25  C   UNL     1       1.637   4.102  -0.597  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.074   0.468  -0.218  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.357   1.109   0.139  1.00  0.00           C  
HETATM   28  N   UNL     1      -3.716   0.949  -0.139  1.00  0.00           N  
HETATM   29  C   UNL     1      -5.405  -0.141  -1.535  1.00  0.00           C  
HETATM   30  S   UNL     1      -7.405  -1.401  -0.186  1.00  0.00           S  
HETATM   31  O   UNL     1      -7.528  -1.615   1.213  1.00  0.00           O  
HETATM   32  C   UNL     1      -8.898  -0.607  -0.842  1.00  0.00           C  
HETATM   33  O   UNL     1      -6.972  -2.442  -1.052  1.00  0.00           O  
HETATM   34  C   UNL     1      -4.477   0.695   1.092  1.00  0.00           C  
HETATM   35  H   UNL     1       1.616  -0.476   1.601  1.00  0.00           H  
HETATM   36  H   UNL     1       2.845   0.449   2.509  1.00  0.00           H  
HETATM   37  H   UNL     1       1.948   2.400   1.715  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.273   2.977   2.030  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.669   2.700   1.542  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.737  -0.443  -1.204  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.277   1.708   0.467  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.542   0.408   1.656  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.309   0.069  -1.998  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.659  -1.078  -0.682  1.00  0.00           H  
HETATM   45  H   UNL     1       5.031  -0.128   1.945  1.00  0.00           H  
HETATM   46  H   UNL     1       6.037  -4.477  -0.913  1.00  0.00           H  
HETATM   47  H   UNL     1       7.785  -3.309  -2.189  1.00  0.00           H  
HETATM   48  H   UNL     1       8.103  -0.883  -1.907  1.00  0.00           H  
HETATM   49  H   UNL     1       3.329  -3.331   0.393  1.00  0.00           H  
HETATM   50  H   UNL     1       4.515  -4.118   1.477  1.00  0.00           H  
HETATM   51  H   UNL     1       4.635  -2.245   2.907  1.00  0.00           H  
HETATM   52  H   UNL     1       2.981  -1.956   2.271  1.00  0.00           H  
HETATM   53  H   UNL     1       4.595   1.632   0.515  1.00  0.00           H  
HETATM   54  H   UNL     1       4.344   0.847  -1.078  1.00  0.00           H  
HETATM   55  H   UNL     1       2.036   1.536  -1.178  1.00  0.00           H  
HETATM   56  H   UNL     1       3.428   3.151  -2.444  1.00  0.00           H  
HETATM   57  H   UNL     1       3.933   4.664  -1.653  1.00  0.00           H  
HETATM   58  H   UNL     1       4.781   3.142  -1.287  1.00  0.00           H  
HETATM   59  H   UNL     1       0.988   3.945   0.264  1.00  0.00           H  
HETATM   60  H   UNL     1       1.879   5.161  -0.682  1.00  0.00           H  
HETATM   61  H   UNL     1       1.126   3.772  -1.502  1.00  0.00           H  
HETATM   62  H   UNL     1       0.657  -0.155  -0.712  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.591  -1.002  -2.177  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.650   0.777  -2.068  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.729  -0.317  -1.879  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.733  -1.306  -0.792  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.129   0.278  -0.250  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.257   1.473   1.822  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.195  -0.276   1.499  1.00  0.00           H  
CONECT    1   11   21    3                                            
CONECT    2   29    9   30                                            
CONECT    3    1    4   35   36                                       
CONECT    4   22    3    5   37                                       
CONECT    5    4    6    6   26                                       
CONECT    6    5    5    7   38                                       
CONECT    7    6   27   27   39                                       
CONECT    8   26   26   27   40                                       
CONECT    9   34    2   41   42                                       
CONECT   10   28   29   43   44                                       
CONECT   11   18   20    1   45                                       
CONECT   12   18   18   13   19                                       
CONECT   13   14   14   12   46                                       
CONECT   14   17   13   13   47                                       
CONECT   15   16   17   17   18                                       
CONECT   16   15                                                      
CONECT   17   15   15   14   48                                       
CONECT   18   15   11   12   12                                       
CONECT   19   12   20   49   50                                       
CONECT   20   11   19   51   52                                       
CONECT   21    1   22   53   54                                       
CONECT   22   21   23    4   55                                       
CONECT   23   24   22   25                                            
CONECT   24   23   56   57   58                                       
CONECT   25   23   59   60   61                                       
CONECT   26    5    8    8   62                                       
CONECT   27    7    7    8   28                                       
CONECT   28   27   10   34                                            
CONECT   29   10    2   63   64                                       
CONECT   30    2   32   33   33                                       
CONECT   30   31   31                                                 
CONECT   31   30   30                                                 
CONECT   32   30   65   66   67                                       
CONECT   33   30   30                                                 
CONECT   34   28    9   68   69                                       
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   17                                                      
CONECT   49   19                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   20                                                      
CONECT   53   21                                                      
CONECT   54   21                                                      
CONECT   55   22                                                      
CONECT   56   24                                                      
CONECT   57   24                                                      
CONECT   58   24                                                      
CONECT   59   25                                                      
CONECT   60   25                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   29                                                      
CONECT   64   29                                                      
CONECT   65   32                                                      
CONECT   66   32                                                      
CONECT   67   32                                                      
CONECT   68   34                                                      
CONECT   69   34                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
