COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.568  -1.810  -0.868  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.573   0.493  -0.191  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.564   1.813   0.002  1.00  0.00           C  
HETATM    4  C   UNL     1       1.463   3.071   0.087  1.00  0.00           C  
HETATM    5  C   UNL     1       1.470   0.778   0.327  1.00  0.00           C  
HETATM    6  C   UNL     1       3.590  -0.356   0.534  1.00  0.00           C  
HETATM    7  C   UNL     1       5.677  -1.137   1.419  1.00  0.00           C  
HETATM    8 CL   UNL     1      -4.599  -3.530  -0.378  1.00  0.00          Cl  
HETATM    9  C   UNL     1      -3.819  -1.981  -0.306  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.454  -0.912   0.318  1.00  0.00           C  
HETATM   11  N   UNL     1      -5.719  -1.084   0.886  1.00  0.00           N  
HETATM   12  S   UNL     1      -6.828   0.143   0.826  1.00  0.00           S  
HETATM   13  C   UNL     1      -7.193   0.337  -0.941  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.759  -0.973  -1.492  1.00  0.00           C  
HETATM   15  C   UNL     1      -8.219   1.457  -1.130  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.907   0.692  -1.691  1.00  0.00           C  
HETATM   17  O   UNL     1      -7.959  -0.373   1.514  1.00  0.00           O  
HETATM   18  O   UNL     1      -6.125   1.276   1.317  1.00  0.00           O  
HETATM   19  C   UNL     1      -3.830   0.326   0.375  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.944  -0.578  -0.812  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.941   1.739  -0.136  1.00  0.00           N  
HETATM   22  C   UNL     1       0.089   3.046  -0.056  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.687   4.320  -0.269  1.00  0.00           C  
HETATM   24  N   UNL     1       2.116   1.933   0.272  1.00  0.00           N  
HETATM   25  N   UNL     1       2.189  -0.389   0.523  1.00  0.00           N  
HETATM   26  C   UNL     1       4.297  -1.171   1.408  1.00  0.00           C  
HETATM   27  C   UNL     1       6.358  -0.289   0.557  1.00  0.00           C  
HETATM   28  N   UNL     1       7.757  -0.255   0.568  1.00  0.00           N  
HETATM   29  C   UNL     1       8.269   0.707  -0.419  1.00  0.00           C  
HETATM   30  C   UNL     1       9.795   0.772  -0.320  1.00  0.00           C  
HETATM   31  N   UNL     1      10.356  -0.566  -0.553  1.00  0.00           N  
HETATM   32  C   UNL     1      10.081  -1.020  -1.923  1.00  0.00           C  
HETATM   33  C   UNL     1       9.844  -1.528   0.433  1.00  0.00           C  
HETATM   34  C   UNL     1       8.318  -1.593   0.334  1.00  0.00           C  
HETATM   35  C   UNL     1       5.651   0.522  -0.322  1.00  0.00           C  
HETATM   36  C   UNL     1       4.271   0.489  -0.333  1.00  0.00           C  
HETATM   37  N   UNL     1       0.154   0.711   0.195  1.00  0.00           N  
HETATM   38  H   UNL     1      -2.075  -2.643  -1.347  1.00  0.00           H  
HETATM   39  H   UNL     1       1.999   4.008   0.047  1.00  0.00           H  
HETATM   40  H   UNL     1       6.227  -1.771   2.100  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.947  -1.923   1.317  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.675  -1.225  -0.958  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.978  -0.856  -2.553  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.028  -1.770  -1.357  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.815   2.390  -0.738  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.437   1.573  -2.191  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.134   1.204  -0.596  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.176  -0.105  -1.556  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.126   0.809  -2.752  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.503   1.625  -1.298  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.321   1.158   0.858  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.966  -0.449  -1.252  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.467   2.553  -0.194  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.982   4.731   0.697  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.063   5.041  -0.796  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.577   4.108  -0.861  1.00  0.00           H  
HETATM   57  H   UNL     1       1.723  -1.230   0.652  1.00  0.00           H  
HETATM   58  H   UNL     1       3.767  -1.831   2.079  1.00  0.00           H  
HETATM   59  H   UNL     1       7.983   0.387  -1.421  1.00  0.00           H  
HETATM   60  H   UNL     1       7.849   1.692  -0.217  1.00  0.00           H  
HETATM   61  H   UNL     1      10.179   1.463  -1.070  1.00  0.00           H  
HETATM   62  H   UNL     1      10.081   1.118   0.674  1.00  0.00           H  
HETATM   63  H   UNL     1      10.529  -0.325  -2.633  1.00  0.00           H  
HETATM   64  H   UNL     1      10.507  -2.013  -2.069  1.00  0.00           H  
HETATM   65  H   UNL     1       9.004  -1.060  -2.083  1.00  0.00           H  
HETATM   66  H   UNL     1      10.264  -2.513   0.232  1.00  0.00           H  
HETATM   67  H   UNL     1      10.131  -1.208   1.435  1.00  0.00           H  
HETATM   68  H   UNL     1       7.935  -2.284   1.085  1.00  0.00           H  
HETATM   69  H   UNL     1       8.033  -1.939  -0.659  1.00  0.00           H  
HETATM   70  H   UNL     1       6.181   1.182  -0.993  1.00  0.00           H  
HETATM   71  H   UNL     1       3.721   1.119  -1.015  1.00  0.00           H  
CONECT    1    9    9   20   38                                       
CONECT    2   19   20   20   21                                       
CONECT    3   21   22   22   37                                       
CONECT    4   22   24   24   39                                       
CONECT    5   24   25   37   37                                       
CONECT    6   25   26   26   36                                       
CONECT    7   26   27   27   40                                       
CONECT    8    9                                                      
CONECT    9    1    1    8   10                                       
CONECT   10    9   11   19   19                                       
CONECT   11   10   12   41                                            
CONECT   12   11   13   17   17                                       
CONECT   12   18   18                                                 
CONECT   13   12   14   15   16                                       
CONECT   14   13   42   43   44                                       
CONECT   15   13   45   46   47                                       
CONECT   16   13   48   49   50                                       
CONECT   17   12   12                                                 
CONECT   18   12   12                                                 
CONECT   19    2   10   10   51                                       
CONECT   20    1    2    2   52                                       
CONECT   21    2    3   53                                            
CONECT   22    3    3    4   23                                       
CONECT   23   22   54   55   56                                       
CONECT   24    4    4    5                                            
CONECT   25    5    6   57                                            
CONECT   26    6    6    7   58                                       
CONECT   27    7    7   28   35                                       
CONECT   28   27   29   34                                            
CONECT   29   28   30   59   60                                       
CONECT   30   29   31   61   62                                       
CONECT   31   30   32   33                                            
CONECT   32   31   63   64   65                                       
CONECT   33   31   34   66   67                                       
CONECT   34   28   33   68   69                                       
CONECT   35   27   36   36   70                                       
CONECT   36    6   35   35   71                                       
CONECT   37    3    5    5                                            
CONECT   38    1                                                      
CONECT   39    4                                                      
CONECT   40    7                                                      
CONECT   41   11                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   16                                                      
CONECT   50   16                                                      
CONECT   51   19                                                      
CONECT   52   20                                                      
CONECT   53   21                                                      
CONECT   54   23                                                      
CONECT   55   23                                                      
CONECT   56   23                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   29                                                      
CONECT   60   29                                                      
CONECT   61   30                                                      
CONECT   62   30                                                      
CONECT   63   32                                                      
CONECT   64   32                                                      
CONECT   65   32                                                      
CONECT   66   33                                                      
CONECT   67   33                                                      
CONECT   68   34                                                      
CONECT   69   34                                                      
CONECT   70   35                                                      
CONECT   71   36                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
