COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -11.224  -1.080   2.335  1.00  0.00           C  
HETATM    2  C   UNL     1      -9.556  -0.514   0.740  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.552   0.259   1.581  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.032   0.412   0.311  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.629   0.928   0.119  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.401   0.123  -0.068  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.461  -0.899  -0.098  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.125  -0.604  -0.272  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.718   0.723  -0.418  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.666   1.747  -0.388  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.000   1.445  -0.214  1.00  0.00           C  
HETATM   12  C   UNL     1       0.712   1.042  -0.604  1.00  0.00           C  
HETATM   13  C   UNL     1       1.420   1.829   0.460  1.00  0.00           C  
HETATM   14  C   UNL     1       2.906   1.662   0.347  1.00  0.00           C  
HETATM   15  C   UNL     1       4.956   1.092  -0.781  1.00  0.00           C  
HETATM   16  C   UNL     1       5.335  -0.320  -0.329  1.00  0.00           C  
HETATM   17  C   UNL     1       6.846  -0.512  -0.470  1.00  0.00           C  
HETATM   18  C   UNL     1       7.271  -0.178  -1.901  1.00  0.00           C  
HETATM   19  C   UNL     1       7.202  -1.943  -0.161  1.00  0.00           C  
HETATM   20  C   UNL     1       7.007   0.076   2.282  1.00  0.00           C  
HETATM   21  C   UNL     1       2.763   0.892  -1.980  1.00  0.00           C  
HETATM   22  C   UNL     1       1.318   0.622  -1.692  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.816   0.086  -0.787  1.00  0.00           C  
HETATM   24  C   UNL     1      -9.099  -0.385  -0.566  1.00  0.00           C  
HETATM   25  N   UNL     1      -8.779  -0.193   1.760  1.00  0.00           N  
HETATM   26  N   UNL     1       3.497   1.232  -0.772  1.00  0.00           N  
HETATM   27  N   UNL     1       8.484  -2.283   0.077  1.00  0.00           N  
HETATM   28  O   UNL     1     -10.814  -0.969   0.970  1.00  0.00           O  
HETATM   29  O   UNL     1      -4.716  -0.171   0.098  1.00  0.00           O  
HETATM   30  O   UNL     1       3.598   1.928   1.307  1.00  0.00           O  
HETATM   31  O   UNL     1       6.334  -2.789  -0.126  1.00  0.00           O  
HETATM   32  O   UNL     1       8.818  -3.628   0.367  1.00  0.00           O  
HETATM   33  O   UNL     1       9.090   0.266   0.676  1.00  0.00           O  
HETATM   34  O   UNL     1       7.303   1.926   0.426  1.00  0.00           O  
HETATM   35  S   UNL     1       7.706   0.589   0.688  1.00  0.00           S  
HETATM   36 CL   UNL     1     -10.123  -0.809  -1.903  1.00  0.00          Cl  
HETATM   37  H   UNL     1     -11.175  -0.099   2.809  1.00  0.00           H  
HETATM   38  H   UNL     1     -12.247  -1.454   2.378  1.00  0.00           H  
HETATM   39  H   UNL     1     -10.562  -1.770   2.858  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.946   0.511   2.439  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.568   1.470  -0.825  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.373   1.597   0.940  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.777  -1.925   0.015  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.395  -1.400  -0.294  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.355   2.775  -0.501  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.733   2.237  -0.190  1.00  0.00           H  
HETATM   47  H   UNL     1       1.168   2.884   0.353  1.00  0.00           H  
HETATM   48  H   UNL     1       1.094   1.481   1.440  1.00  0.00           H  
HETATM   49  H   UNL     1       5.395   1.822  -0.101  1.00  0.00           H  
HETATM   50  H   UNL     1       5.331   1.263  -1.790  1.00  0.00           H  
HETATM   51  H   UNL     1       5.047  -0.457   0.713  1.00  0.00           H  
HETATM   52  H   UNL     1       7.014   0.857  -2.125  1.00  0.00           H  
HETATM   53  H   UNL     1       8.348  -0.315  -2.001  1.00  0.00           H  
HETATM   54  H   UNL     1       6.755  -0.839  -2.597  1.00  0.00           H  
HETATM   55  H   UNL     1       7.225  -0.979   2.451  1.00  0.00           H  
HETATM   56  H   UNL     1       7.448   0.671   3.081  1.00  0.00           H  
HETATM   57  H   UNL     1       5.927   0.226   2.270  1.00  0.00           H  
HETATM   58  H   UNL     1       3.208   0.004  -2.428  1.00  0.00           H  
HETATM   59  H   UNL     1       2.837   1.719  -2.685  1.00  0.00           H  
HETATM   60  H   UNL     1       0.747   0.055  -2.413  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.433   0.197  -1.791  1.00  0.00           H  
HETATM   62  H   UNL     1       9.178  -1.606   0.049  1.00  0.00           H  
HETATM   63  H   UNL     1       9.761  -3.774   0.523  1.00  0.00           H  
HETATM   64  H   UNL     1       4.816  -1.051  -0.949  1.00  0.00           H  
CONECT    1   28   37   38   39                                       
CONECT    2   24   24   25   28                                       
CONECT    3    4   25   25   40                                       
CONECT    4    3    5   23   23                                       
CONECT    5    4   29   41   42                                       
CONECT    6    7    7   11   29                                       
CONECT    7    6    6    8   43                                       
CONECT    8    7    9    9   44                                       
CONECT    9    8    8   10   12                                       
CONECT   10    9   11   11   45                                       
CONECT   11    6   10   10   46                                       
CONECT   12    9   13   22   22                                       
CONECT   13   12   14   47   48                                       
CONECT   14   13   26   30   30                                       
CONECT   15   16   26   49   50                                       
CONECT   16   15   17   51   64                                       
CONECT   17   16   18   19   35                                       
CONECT   18   17   52   53   54                                       
CONECT   19   17   27   31   31                                       
CONECT   20   35   55   56   57                                       
CONECT   21   22   26   58   59                                       
CONECT   22   12   12   21   60                                       
CONECT   23    4    4   24   61                                       
CONECT   24    2    2   23   36                                       
CONECT   25    2    3    3                                            
CONECT   26   14   15   21                                            
CONECT   27   19   32   62                                            
CONECT   28    1    2                                                 
CONECT   29    5    6                                                 
CONECT   30   14   14                                                 
CONECT   31   19   19                                                 
CONECT   32   27   63                                                 
CONECT   33   35   35                                                 
CONECT   34   35   35                                                 
CONECT   35   17   20   33   33                                       
CONECT   35   34   34                                                 
CONECT   36   24                                                      
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    3                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   13                                                      
CONECT   48   13                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   18                                                      
CONECT   55   20                                                      
CONECT   56   20                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   27                                                      
CONECT   63   32                                                      
CONECT   64   16                                                      
MASTER        0    0    0    0    0    0    0    0   64    0   64    0
END
