COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.066  -1.875   1.058  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.276   2.426   1.132  1.00  0.00           C  
HETATM    3  C   UNL     1       6.057  -1.138  -0.206  1.00  0.00           C  
HETATM    4  C   UNL     1       5.819   0.155   0.207  1.00  0.00           C  
HETATM    5  C   UNL     1       1.261   1.397   0.305  1.00  0.00           C  
HETATM    6  C   UNL     1       5.231  -1.693  -1.199  1.00  0.00           C  
HETATM    7  C   UNL     1       4.197  -0.978  -1.752  1.00  0.00           C  
HETATM    8  C   UNL     1       3.957   0.316  -1.328  1.00  0.00           C  
HETATM    9  C   UNL     1       4.763   0.870  -0.359  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.158   1.357   0.812  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.973   2.465   0.672  1.00  0.00           C  
HETATM   12  N   UNL     1       7.034  -1.981   0.271  1.00  0.00           N  
HETATM   13  N   UNL     1       1.292   0.959  -1.093  1.00  0.00           N  
HETATM   14  C   UNL     1       8.431  -0.712   1.910  1.00  0.00           C  
HETATM   15  N   UNL     1      -5.068   0.765   1.173  1.00  0.00           N  
HETATM   16  C   UNL     1       6.617   0.892   1.234  1.00  0.00           C  
HETATM   17  C   UNL     1       8.085   0.600   1.250  1.00  0.00           C  
HETATM   18  O   UNL     1       8.810  -2.832   1.105  1.00  0.00           O  
HETATM   19  S   UNL     1       2.632   1.248  -2.021  1.00  0.00           S  
HETATM   20  O   UNL     1       2.964   2.617  -1.833  1.00  0.00           O  
HETATM   21  O   UNL     1       2.367   0.680  -3.296  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.764   1.281   1.732  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.950   0.171   1.868  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.649   0.208   1.403  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.182   1.241   2.239  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.629   1.645   0.322  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.323  -0.590   1.039  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.166  -1.017   0.021  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.737  -0.059  -0.845  1.00  0.00           C  
HETATM   30  N   UNL     1      -6.443   1.246  -0.670  1.00  0.00           N  
HETATM   31  N   UNL     1      -4.923  -1.678   1.703  1.00  0.00           N  
HETATM   32  C   UNL     1      -5.459  -2.746   1.169  1.00  0.00           C  
HETATM   33  N   UNL     1      -6.235  -2.391   0.126  1.00  0.00           N  
HETATM   34  O   UNL     1      -7.480  -0.408  -1.745  1.00  0.00           O  
HETATM   35  O   UNL     1      -5.394   2.830   0.456  1.00  0.00           O  
HETATM   36  C   UNL     1      -7.006  -3.294  -0.733  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.187  -3.634  -1.980  1.00  0.00           C  
HETATM   38  H   UNL     1      -2.912   3.293   1.026  1.00  0.00           H  
HETATM   39  H   UNL     1       1.644   2.415   0.376  1.00  0.00           H  
HETATM   40  H   UNL     1       1.881   0.733   0.907  1.00  0.00           H  
HETATM   41  H   UNL     1       5.414  -2.703  -1.534  1.00  0.00           H  
HETATM   42  H   UNL     1       3.575  -1.424  -2.514  1.00  0.00           H  
HETATM   43  H   UNL     1       4.573   1.881  -0.030  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.592   3.360   0.203  1.00  0.00           H  
HETATM   45  H   UNL     1       6.926  -2.885  -0.063  1.00  0.00           H  
HETATM   46  H   UNL     1       0.527   0.501  -1.474  1.00  0.00           H  
HETATM   47  H   UNL     1       7.897  -0.785   2.857  1.00  0.00           H  
HETATM   48  H   UNL     1       9.503  -0.739   2.106  1.00  0.00           H  
HETATM   49  H   UNL     1       6.483   1.961   1.067  1.00  0.00           H  
HETATM   50  H   UNL     1       6.213   0.649   2.217  1.00  0.00           H  
HETATM   51  H   UNL     1       8.594   1.404   1.781  1.00  0.00           H  
HETATM   52  H   UNL     1       8.448   0.581   0.222  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.331  -0.724   2.338  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.012  -0.657   1.513  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.487   2.241   2.545  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.245   0.565   3.092  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.830   1.907  -1.265  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.302  -3.758   1.512  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.233  -4.209  -0.187  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.935  -2.808  -1.030  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.960  -2.718  -2.526  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.258  -4.120  -1.683  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.761  -4.305  -2.619  1.00  0.00           H  
CONECT    1   18   18   12   14                                       
CONECT    2   11   22   22   38                                       
CONECT    3   12    6    6    4                                       
CONECT    4    3   16    9    9                                       
CONECT    5   13   10   39   40                                       
CONECT    6    3    3    7   41                                       
CONECT    7    6    8    8   42                                       
CONECT    8    7    7    9   19                                       
CONECT    9    4    4    8   43                                       
CONECT   10    5   11   11   24                                       
CONECT   11   10   10    2   44                                       
CONECT   12    1    3   45                                            
CONECT   13   19    5   46                                            
CONECT   14    1   17   47   48                                       
CONECT   15   25   26   27                                            
CONECT   16   17    4   49   50                                       
CONECT   17   14   16   51   52                                       
CONECT   18    1    1                                                 
CONECT   19    8   21   21   13                                       
CONECT   19   20   20                                                 
CONECT   20   19   19                                                 
CONECT   21   19   19                                                 
CONECT   22    2    2   23   25                                       
CONECT   23   24   24   22   53                                       
CONECT   24   10   23   23   54                                       
CONECT   25   22   15   55   56                                       
CONECT   26   35   35   15   30                                       
CONECT   27   15   28   28   31                                       
CONECT   28   27   27   29   33                                       
CONECT   29   30   34   34   28                                       
CONECT   30   26   29   57                                            
CONECT   31   27   32   32                                            
CONECT   32   31   31   33   58                                       
CONECT   33   28   32   36                                            
CONECT   34   29   29                                                 
CONECT   35   26   26                                                 
CONECT   36   33   37   59   60                                       
CONECT   37   36   61   62   63                                       
CONECT   38    2                                                      
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    9                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   14                                                      
CONECT   49   16                                                      
CONECT   50   16                                                      
CONECT   51   17                                                      
CONECT   52   17                                                      
CONECT   53   23                                                      
CONECT   54   24                                                      
CONECT   55   25                                                      
CONECT   56   25                                                      
CONECT   57   30                                                      
CONECT   58   32                                                      
CONECT   59   36                                                      
CONECT   60   36                                                      
CONECT   61   37                                                      
CONECT   62   37                                                      
CONECT   63   37                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
