COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.354   2.717   1.886  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.822   1.787   0.766  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.220   2.619  -0.455  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.601   0.110  -0.354  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.098  -1.130  -0.118  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.441  -2.433  -0.311  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.510  -3.410   0.687  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.892  -4.628   0.498  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.205  -4.885  -0.676  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.132  -3.923  -1.668  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.750  -2.702  -1.497  1.00  0.00           C  
HETATM   12  O   UNL     1      -5.650  -1.270  -0.499  1.00  0.00           O  
HETATM   13  N   UNL     1      -1.311   0.322  -0.845  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.863   1.680  -1.166  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.326   2.353   0.100  1.00  0.00           C  
HETATM   16  C   UNL     1       0.887   1.573   0.612  1.00  0.00           C  
HETATM   17  C   UNL     1       0.252   1.617  -2.214  1.00  0.00           C  
HETATM   18  N   UNL     1       3.083  -0.320   0.412  1.00  0.00           N  
HETATM   19  C   UNL     1       4.167  -0.916   0.871  1.00  0.00           C  
HETATM   20  C   UNL     1       7.351  -1.530   0.369  1.00  0.00           C  
HETATM   21  C   UNL     1       5.409   1.111   0.623  1.00  0.00           C  
HETATM   22  C   UNL     1       4.257   1.709   0.146  1.00  0.00           C  
HETATM   23  N   UNL     1      -4.735   0.875   0.402  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.515   1.200  -0.062  1.00  0.00           C  
HETATM   25  O   UNL     1      -3.193   2.360  -0.236  1.00  0.00           O  
HETATM   26  S   UNL     1      -4.738  -0.795   0.482  1.00  0.00           S  
HETATM   27  O   UNL     1      -4.785  -1.158   1.855  1.00  0.00           O  
HETATM   28  N   UNL     1       1.925   1.542  -0.427  1.00  0.00           N  
HETATM   29  C   UNL     1       1.447   0.858  -1.635  1.00  0.00           C  
HETATM   30  C   UNL     1       3.091   0.954   0.052  1.00  0.00           C  
HETATM   31  C   UNL     1       5.357  -0.228   0.991  1.00  0.00           C  
HETATM   32  C   UNL     1       6.588  -0.921   1.517  1.00  0.00           C  
HETATM   33  O   UNL     1       8.489  -2.202   0.601  1.00  0.00           O  
HETATM   34  O   UNL     1       6.938  -1.413  -0.761  1.00  0.00           O  
HETATM   35 CL   UNL     1       4.264   3.379  -0.328  1.00  0.00          Cl  
HETATM   36  H   UNL     1      -5.071   2.124   2.756  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.495   3.294   1.544  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.163   3.395   2.157  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.682   1.210   1.107  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.361   3.196  -0.797  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.554   1.956  -1.254  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.029   3.297  -0.185  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.045  -3.210   1.604  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.944  -5.383   1.268  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.723  -5.841  -0.818  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.594  -4.131  -2.581  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.696  -1.954  -2.274  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.711  -0.429  -0.974  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.701   2.256  -1.559  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.029   3.377  -0.131  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.102   2.363   0.865  1.00  0.00           H  
HETATM   52  H   UNL     1       1.281   2.058   1.505  1.00  0.00           H  
HETATM   53  H   UNL     1       0.586   0.554   0.855  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.112   1.100  -3.102  1.00  0.00           H  
HETATM   55  H   UNL     1       0.557   2.628  -2.481  1.00  0.00           H  
HETATM   56  H   UNL     1       4.123  -1.957   1.156  1.00  0.00           H  
HETATM   57  H   UNL     1       6.328   1.671   0.708  1.00  0.00           H  
HETATM   58  H   UNL     1       1.144  -0.158  -1.381  1.00  0.00           H  
HETATM   59  H   UNL     1       2.248   0.823  -2.373  1.00  0.00           H  
HETATM   60  H   UNL     1       6.293  -1.705   2.214  1.00  0.00           H  
HETATM   61  H   UNL     1       7.221  -0.197   2.031  1.00  0.00           H  
HETATM   62  H   UNL     1       8.943  -2.574  -0.167  1.00  0.00           H  
CONECT    1    2   36   37   38                                       
CONECT    2    3    1   23   39                                       
CONECT    3    2   40   41   42                                       
CONECT    4   24    5    5   13                                       
CONECT    5   26    4    4    6                                       
CONECT    6    5   11   11    7                                       
CONECT    7    6    8    8   43                                       
CONECT    8    7    7    9   44                                       
CONECT    9   10   10    8   45                                       
CONECT   10   11    9    9   46                                       
CONECT   11    6    6   10   47                                       
CONECT   12   26   26                                                 
CONECT   13    4   14   48                                            
CONECT   14   13   15   17   49                                       
CONECT   15   14   16   50   51                                       
CONECT   16   15   28   52   53                                       
CONECT   17   14   29   54   55                                       
CONECT   18   30   30   19                                            
CONECT   19   18   31   31   56                                       
CONECT   20   32   34   34   33                                       
CONECT   21   22   22   31   57                                       
CONECT   22   30   35   21   21                                       
CONECT   23    2   24   26                                            
CONECT   24   23   25   25    4                                       
CONECT   25   24   24                                                 
CONECT   26   12   12   23   27                                       
CONECT   26   27    5                                                 
CONECT   27   26   26                                                 
CONECT   28   16   30   29                                            
CONECT   29   17   28   58   59                                       
CONECT   30   28   18   18   22                                       
CONECT   31   19   19   21   32                                       
CONECT   32   31   20   60   61                                       
CONECT   33   20   62                                                 
CONECT   34   20   20                                                 
CONECT   35   22                                                      
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    3                                                      
CONECT   42    3                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   17                                                      
CONECT   56   19                                                      
CONECT   57   21                                                      
CONECT   58   29                                                      
CONECT   59   29                                                      
CONECT   60   32                                                      
CONECT   61   32                                                      
CONECT   62   33                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
