COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.171   2.122  -0.134  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.353   0.556   1.820  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.362   0.897   0.705  1.00  0.00           C  
HETATM    4  C   UNL     1       0.042   1.039   1.297  1.00  0.00           C  
HETATM    5  C   UNL     1       1.033   1.380   0.183  1.00  0.00           C  
HETATM    6  C   UNL     1       3.713   1.947  -0.565  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.681   0.092   2.295  1.00  0.00           C  
HETATM    8  C   UNL     1       8.901  -0.937  -0.039  1.00  0.00           C  
HETATM    9  C   UNL     1       6.024   2.566  -1.338  1.00  0.00           C  
HETATM   10  C   UNL     1       7.103   1.464  -1.466  1.00  0.00           C  
HETATM   11  C   UNL     1       7.094   0.835  -0.049  1.00  0.00           C  
HETATM   12  C   UNL     1       6.827  -1.670  -0.189  1.00  0.00           C  
HETATM   13  C   UNL     1       8.888  -2.340  -0.114  1.00  0.00           C  
HETATM   14  N   UNL     1      -3.701   0.420   1.251  1.00  0.00           N  
HETATM   15  S   UNL     1       2.698   1.548   0.884  1.00  0.00           S  
HETATM   16  O   UNL     1       6.631   3.833  -1.081  1.00  0.00           O  
HETATM   17  O   UNL     1       8.380   2.032  -1.763  1.00  0.00           O  
HETATM   18  O   UNL     1       5.700   0.867   0.325  1.00  0.00           O  
HETATM   19  N   UNL     1       7.588  -0.543  -0.093  1.00  0.00           N  
HETATM   20  N   UNL     1      10.067  -0.306   0.056  1.00  0.00           N  
HETATM   21  C   UNL     1      11.196  -0.983   0.079  1.00  0.00           C  
HETATM   22  N   UNL     1      11.234  -2.301   0.011  1.00  0.00           N  
HETATM   23  N   UNL     1       7.592  -2.723  -0.203  1.00  0.00           N  
HETATM   24  C   UNL     1      10.119  -3.017  -0.085  1.00  0.00           C  
HETATM   25  N   UNL     1      10.169  -4.399  -0.156  1.00  0.00           N  
HETATM   26  H   UNL     1       5.237   2.865   0.661  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.061  -0.383   2.291  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.351   1.352   2.564  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.363   0.101  -0.039  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.654   1.836   0.234  1.00  0.00           H  
HETATM   31  H   UNL     1       0.044   1.835   2.041  1.00  0.00           H  
HETATM   32  H   UNL     1       0.334   0.100   1.768  1.00  0.00           H  
HETATM   33  H   UNL     1       1.031   0.584  -0.562  1.00  0.00           H  
HETATM   34  H   UNL     1       0.741   2.319  -0.289  1.00  0.00           H  
HETATM   35  H   UNL     1       3.354   2.871  -1.018  1.00  0.00           H  
HETATM   36  H   UNL     1       3.644   1.136  -1.291  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.405  -0.850   2.769  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.695   0.885   3.043  1.00  0.00           H  
HETATM   39  H   UNL     1       5.415   2.610  -2.241  1.00  0.00           H  
HETATM   40  H   UNL     1       6.821   0.728  -2.219  1.00  0.00           H  
HETATM   41  H   UNL     1       7.690   1.434   0.640  1.00  0.00           H  
HETATM   42  H   UNL     1       5.749  -1.687  -0.245  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.714  -0.268   0.513  1.00  0.00           H  
HETATM   44  H   UNL     1       7.180   4.161  -1.807  1.00  0.00           H  
HETATM   45  H   UNL     1       8.410   2.515  -2.601  1.00  0.00           H  
HETATM   46  H   UNL     1      12.126  -0.439   0.157  1.00  0.00           H  
HETATM   47  H   UNL     1       9.348  -4.911  -0.226  1.00  0.00           H  
HETATM   48  H   UNL     1      11.025  -4.855  -0.134  1.00  0.00           H  
HETATM   49  C   UNL     1      -6.049  -0.040   1.676  1.00  0.00           C  
HETATM   50  C   UNL     1      -6.478  -1.268   1.208  1.00  0.00           C  
HETATM   51  C   UNL     1      -7.730  -1.394   0.640  1.00  0.00           C  
HETATM   52  C   UNL     1      -8.561  -0.280   0.538  1.00  0.00           C  
HETATM   53  C   UNL     1      -8.123   0.955   1.010  1.00  0.00           C  
HETATM   54  C   UNL     1      -6.872   1.068   1.582  1.00  0.00           C  
HETATM   55  C   UNL     1      -9.907  -0.409  -0.073  1.00  0.00           C  
HETATM   56  C   UNL     1     -10.738   0.705  -0.175  1.00  0.00           C  
HETATM   57  C   UNL     1     -11.989   0.580  -0.744  1.00  0.00           C  
HETATM   58  C   UNL     1     -12.419  -0.650  -1.213  1.00  0.00           C  
HETATM   59  C   UNL     1     -11.597  -1.759  -1.114  1.00  0.00           C  
HETATM   60  C   UNL     1     -10.342  -1.643  -0.552  1.00  0.00           C  
HETATM   61 CL   UNL     1     -13.994  -0.800  -1.928  1.00  0.00          Cl  
HETATM   62  H   UNL     1      -5.834  -2.131   1.288  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.064  -2.354   0.275  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.763   1.822   0.933  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.531   2.025   1.949  1.00  0.00           H  
HETATM   66  H   UNL     1     -10.404   1.664   0.191  1.00  0.00           H  
HETATM   67  H   UNL     1     -12.634   1.443  -0.823  1.00  0.00           H  
HETATM   68  H   UNL     1     -11.937  -2.716  -1.481  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.702  -2.510  -0.475  1.00  0.00           H  
CONECT    1    6   18    9   26                                       
CONECT    2   14    3   27   28                                       
CONECT    3    2    4   29   30                                       
CONECT    4    3    5   31   32                                       
CONECT    5    4   15   33   34                                       
CONECT    6   15    1   35   36                                       
CONECT    7   14   37   38   49                                       
CONECT    8   13   19   20   20                                       
CONECT    9    1   10   16   39                                       
CONECT   10    9   11   17   40                                       
CONECT   11   18   19   10   41                                       
CONECT   12   23   23   19   42                                       
CONECT   13   23   24   24    8                                       
CONECT   14    7    2   43                                            
CONECT   15    5    6                                                 
CONECT   16    9   44                                                 
CONECT   17   10   45                                                 
CONECT   18    1   11                                                 
CONECT   19   12   11    8                                            
CONECT   20    8    8   21                                            
CONECT   21   22   22   20   46                                       
CONECT   22   24   21   21                                            
CONECT   23   12   12   13                                            
CONECT   24   25   13   13   22                                       
CONECT   25   24   47   48                                            
CONECT   26    1                                                      
CONECT   27    2                                                      
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   14                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   21                                                      
CONECT   47   25                                                      
CONECT   48   25                                                      
CONECT   49    7   50   54   54                                       
CONECT   50   49   51   51   62                                       
CONECT   51   50   50   52   63                                       
CONECT   52   51   53   53   55                                       
CONECT   53   52   52   54   64                                       
CONECT   54   53   49   49   65                                       
CONECT   55   52   56   60   60                                       
CONECT   56   55   57   57   66                                       
CONECT   57   56   56   58   67                                       
CONECT   58   57   59   59   61                                       
CONECT   59   58   58   60   68                                       
CONECT   60   59   55   55   69                                       
CONECT   61   58                                                      
CONECT   62   50                                                      
CONECT   63   51                                                      
CONECT   64   53                                                      
CONECT   65   54                                                      
CONECT   66   56                                                      
CONECT   67   57                                                      
CONECT   68   59                                                      
CONECT   69   60                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
