COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -5.996   0.550  -1.036  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.804   1.848  -0.956  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.047   1.622  -0.093  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.842   2.900  -0.014  1.00  0.00           C  
HETATM    5  O   UNL     1      -9.322   3.462  -1.134  1.00  0.00           O  
HETATM    6  O   UNL     1      -9.047   3.418   1.058  1.00  0.00           O  
HETATM    7  C   UNL     1      -7.621   1.198   1.314  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.814  -0.099   1.233  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.571   0.126   0.371  1.00  0.00           C  
HETATM   10  N   UNL     1      -4.798  -1.116   0.294  1.00  0.00           N  
HETATM   11  C   UNL     1      -3.474  -1.071   0.046  1.00  0.00           C  
HETATM   12  O   UNL     1      -2.921   0.000  -0.113  1.00  0.00           O  
HETATM   13  C   UNL     1      -2.694  -2.325  -0.031  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.322  -2.281  -0.282  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.326  -3.556   0.151  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.596  -4.725   0.078  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.238  -4.682  -0.175  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.598  -3.461  -0.353  1.00  0.00           C  
HETATM   19  N   UNL     1       0.778  -3.423  -0.603  1.00  0.00           N  
HETATM   20  C   UNL     1       1.512  -2.309  -0.252  1.00  0.00           C  
HETATM   21  S   UNL     1       3.157  -2.064  -0.644  1.00  0.00           S  
HETATM   22  N   UNL     1       1.047  -1.296   0.421  1.00  0.00           N  
HETATM   23  C   UNL     1       1.874  -0.314   0.674  1.00  0.00           C  
HETATM   24  C   UNL     1       3.134  -0.506   0.179  1.00  0.00           C  
HETATM   25  C   UNL     1       4.260   0.418   0.306  1.00  0.00           C  
HETATM   26  O   UNL     1       4.120   1.470   0.903  1.00  0.00           O  
HETATM   27  N   UNL     1       5.453   0.105  -0.236  1.00  0.00           N  
HETATM   28  C   UNL     1       6.560   0.932  -0.016  1.00  0.00           C  
HETATM   29  C   UNL     1       6.473   2.295  -0.270  1.00  0.00           C  
HETATM   30 CL   UNL     1       4.989   2.976  -0.860  1.00  0.00          Cl  
HETATM   31  C   UNL     1       7.569   3.109  -0.051  1.00  0.00           C  
HETATM   32  C   UNL     1       8.750   2.567   0.419  1.00  0.00           C  
HETATM   33  C   UNL     1       8.840   1.210   0.672  1.00  0.00           C  
HETATM   34  C   UNL     1       7.748   0.393   0.462  1.00  0.00           C  
HETATM   35  C   UNL     1       7.845  -1.084   0.745  1.00  0.00           C  
HETATM   36  H   UNL     1      -6.610  -0.233  -1.482  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.111   0.711  -1.651  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.190   2.631  -0.511  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.107   2.150  -1.958  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.661   0.839  -0.538  1.00  0.00           H  
HETATM   41  H   UNL     1      -9.826   4.281  -1.033  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.007   1.981   1.759  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.507   1.037   1.929  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.511  -0.401   2.236  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.428  -0.882   0.788  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.957   0.909   0.816  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.239  -1.970   0.421  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.827  -1.332  -0.419  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.387  -3.594   0.349  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.088  -5.676   0.220  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.672  -5.600  -0.230  1.00  0.00           H  
HETATM   52  H   UNL     1       1.215  -4.180  -1.024  1.00  0.00           H  
HETATM   53  H   UNL     1       1.587   0.570   1.224  1.00  0.00           H  
HETATM   54  H   UNL     1       5.545  -0.694  -0.779  1.00  0.00           H  
HETATM   55  H   UNL     1       7.502   4.168  -0.249  1.00  0.00           H  
HETATM   56  H   UNL     1       9.605   3.205   0.589  1.00  0.00           H  
HETATM   57  H   UNL     1       9.765   0.791   1.039  1.00  0.00           H  
HETATM   58  H   UNL     1       8.183  -1.604  -0.152  1.00  0.00           H  
HETATM   59  H   UNL     1       8.557  -1.253   1.552  1.00  0.00           H  
HETATM   60  H   UNL     1       6.866  -1.464   1.038  1.00  0.00           H  
CONECT    1    2    9   36   37                                       
CONECT    2    3    1   38   39                                       
CONECT    3    4    7    2   40                                       
CONECT    4    6    6    5    3                                       
CONECT    5    4   41                                                 
CONECT    6    4    4                                                 
CONECT    7    3    8   42   43                                       
CONECT    8    7    9   44   45                                       
CONECT    9    8    1   10   46                                       
CONECT   10    9   11   47                                            
CONECT   11   12   12   10   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   14   15                                       
CONECT   14   13   13   18   48                                       
CONECT   15   13   16   16   49                                       
CONECT   16   15   15   17   50                                       
CONECT   17   18   18   16   51                                       
CONECT   18   14   19   17   17                                       
CONECT   19   18   20   52                                            
CONECT   20   19   22   22   21                                       
CONECT   21   20   24                                                 
CONECT   22   20   20   23                                            
CONECT   23   22   24   24   53                                       
CONECT   24   23   23   21   25                                       
CONECT   25   24   27   26   26                                       
CONECT   26   25   25                                                 
CONECT   27   25   28   54                                            
CONECT   28   27   29   29   34                                       
CONECT   29   30   28   28   31                                       
CONECT   30   29                                                      
CONECT   31   29   32   32   55                                       
CONECT   32   31   31   33   56                                       
CONECT   33   34   34   32   57                                       
CONECT   34   28   35   33   33                                       
CONECT   35   34   58   59   60                                       
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    5                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   17                                                      
CONECT   52   19                                                      
CONECT   53   23                                                      
CONECT   54   27                                                      
CONECT   55   31                                                      
CONECT   56   32                                                      
CONECT   57   33                                                      
CONECT   58   35                                                      
CONECT   59   35                                                      
CONECT   60   35                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
