COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1      -5.607   3.830   0.045  1.00  0.00          Cl  
HETATM    2  C   UNL     1      -6.085   2.162  -0.018  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.421   1.833  -0.069  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.815   0.495  -0.120  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.842  -0.500  -0.118  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.582  -1.817  -0.180  1.00  0.00           C  
HETATM    7  C   UNL     1      -9.041  -1.416  -0.215  1.00  0.00           C  
HETATM    8  O   UNL     1      -9.993  -2.165  -0.268  1.00  0.00           O  
HETATM    9  N   UNL     1      -9.084  -0.073  -0.177  1.00  0.00           N  
HETATM   10  C   UNL     1      -5.508  -0.184  -0.067  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.112   1.157  -0.021  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.681   1.509   0.034  1.00  0.00           C  
HETATM   13  O   UNL     1      -3.342   2.676   0.074  1.00  0.00           O  
HETATM   14  N   UNL     1      -2.748   0.536   0.041  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.326   0.885   0.095  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.619   0.337  -1.148  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.644  -1.199  -1.099  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.088  -1.638  -0.763  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.138  -1.675   0.779  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.720  -1.255   1.230  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.701   0.277   1.354  1.00  0.00           C  
HETATM   22  N   UNL     1       0.149  -1.615   0.083  1.00  0.00           N  
HETATM   23  S   UNL     1       1.649  -2.316   0.115  1.00  0.00           S  
HETATM   24  O   UNL     1       1.742  -3.008   1.353  1.00  0.00           O  
HETATM   25  O   UNL     1       1.823  -2.948  -1.145  1.00  0.00           O  
HETATM   26  N   UNL     1       2.761  -1.090   0.181  1.00  0.00           N  
HETATM   27  C   UNL     1       3.222  -0.567   1.474  1.00  0.00           C  
HETATM   28  C   UNL     1       4.753  -0.618   1.509  1.00  0.00           C  
HETATM   29  C   UNL     1       5.312   0.125   0.294  1.00  0.00           C  
HETATM   30  C   UNL     1       4.835  -0.559  -0.989  1.00  0.00           C  
HETATM   31  C   UNL     1       3.309  -0.510  -1.052  1.00  0.00           C  
HETATM   32  N   UNL     1       6.780   0.107   0.342  1.00  0.00           N  
HETATM   33  C   UNL     1       7.346   1.241  -0.401  1.00  0.00           C  
HETATM   34  C   UNL     1       8.850   1.189  -0.330  1.00  0.00           C  
HETATM   35  C   UNL     1       9.564   0.501  -1.293  1.00  0.00           C  
HETATM   36  C   UNL     1      10.944   0.452  -1.227  1.00  0.00           C  
HETATM   37  C   UNL     1      11.610   1.091  -0.199  1.00  0.00           C  
HETATM   38  C   UNL     1      10.896   1.779   0.765  1.00  0.00           C  
HETATM   39  C   UNL     1       9.517   1.833   0.696  1.00  0.00           C  
HETATM   40  H   UNL     1      -8.167   2.614  -0.070  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.314  -2.364  -1.085  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.371  -2.416   0.706  1.00  0.00           H  
HETATM   43  H   UNL     1      -9.906   0.441  -0.188  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.765  -0.968  -0.066  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.018  -0.395   0.009  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.220   1.969   0.125  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.135   0.683  -2.043  1.00  0.00           H  
HETATM   48  H   UNL     1       0.414   0.685  -1.163  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.273  -1.645  -2.022  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.805  -0.913  -1.149  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.289  -2.627  -1.173  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.880  -0.968   1.152  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.366  -2.682   1.127  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.416  -1.754   2.150  1.00  0.00           H  
HETATM   55  H   UNL     1       0.329   0.622   1.454  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.275   0.579   2.230  1.00  0.00           H  
HETATM   57  H   UNL     1       2.889   0.464   1.591  1.00  0.00           H  
HETATM   58  H   UNL     1       2.818  -1.178   2.281  1.00  0.00           H  
HETATM   59  H   UNL     1       5.112  -0.144   2.422  1.00  0.00           H  
HETATM   60  H   UNL     1       5.083  -1.657   1.484  1.00  0.00           H  
HETATM   61  H   UNL     1       4.962   1.158   0.307  1.00  0.00           H  
HETATM   62  H   UNL     1       5.253  -0.043  -1.854  1.00  0.00           H  
HETATM   63  H   UNL     1       5.165  -1.598  -0.992  1.00  0.00           H  
HETATM   64  H   UNL     1       2.961  -1.082  -1.913  1.00  0.00           H  
HETATM   65  H   UNL     1       2.980   0.525  -1.141  1.00  0.00           H  
HETATM   66  H   UNL     1       7.111   0.097   1.295  1.00  0.00           H  
HETATM   67  H   UNL     1       7.029   1.188  -1.442  1.00  0.00           H  
HETATM   68  H   UNL     1       6.994   2.175   0.038  1.00  0.00           H  
HETATM   69  H   UNL     1       9.044   0.001  -2.097  1.00  0.00           H  
HETATM   70  H   UNL     1      11.502  -0.086  -1.980  1.00  0.00           H  
HETATM   71  H   UNL     1      12.688   1.052  -0.147  1.00  0.00           H  
HETATM   72  H   UNL     1      11.417   2.278   1.569  1.00  0.00           H  
HETATM   73  H   UNL     1       8.959   2.370   1.449  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2   11   11    3    1                                       
CONECT    3    4    4    2   40                                       
CONECT    4    5    9    3    3                                       
CONECT    5   10   10    6    4                                       
CONECT    6    5    7   41   42                                       
CONECT    7    6    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7    4   43                                            
CONECT   10    5    5   11   44                                       
CONECT   11   10   12    2    2                                       
CONECT   12   13   13   11   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   15   45                                            
CONECT   15   16   14   21   46                                       
CONECT   16   15   17   47   48                                       
CONECT   17   16   22   18   49                                       
CONECT   18   17   19   50   51                                       
CONECT   19   18   20   52   53                                       
CONECT   20   22   21   19   54                                       
CONECT   21   15   20   55   56                                       
CONECT   22   17   23   20                                            
CONECT   23   26   22   24   24                                       
CONECT   23   25   25                                                 
CONECT   24   23   23                                                 
CONECT   25   23   23                                                 
CONECT   26   27   31   23                                            
CONECT   27   28   26   57   58                                       
CONECT   28   29   27   59   60                                       
CONECT   29   32   28   30   61                                       
CONECT   30   29   31   62   63                                       
CONECT   31   30   26   64   65                                       
CONECT   32   29   33   66                                            
CONECT   33   32   34   67   68                                       
CONECT   34   39   39   35   33                                       
CONECT   35   36   36   34   69                                       
CONECT   36   37   35   35   70                                       
CONECT   37   38   38   36   71                                       
CONECT   38   37   37   39   72                                       
CONECT   39   38   34   34   73                                       
CONECT   40    3                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   14                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   18                                                      
CONECT   51   18                                                      
CONECT   52   19                                                      
CONECT   53   19                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
CONECT   57   27                                                      
CONECT   58   27                                                      
CONECT   59   28                                                      
CONECT   60   28                                                      
CONECT   61   29                                                      
CONECT   62   30                                                      
CONECT   63   30                                                      
CONECT   64   31                                                      
CONECT   65   31                                                      
CONECT   66   32                                                      
CONECT   67   33                                                      
CONECT   68   33                                                      
CONECT   69   35                                                      
CONECT   70   36                                                      
CONECT   71   37                                                      
CONECT   72   38                                                      
CONECT   73   39                                                      
MASTER        0    0    0    0    0    0    0    0   73    0   73    0
END
