COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.123   1.249   0.411  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.003   0.262   0.064  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.458   0.316   0.203  1.00  0.00           C  
HETATM    4  N   UNL     1       8.103  -0.744  -0.209  1.00  0.00           N  
HETATM    5  C   UNL     1      -9.317  -0.721   0.526  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.550  -1.797   0.932  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.188  -1.804   0.699  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.353  -2.978   1.143  1.00  0.00           C  
HETATM    9  C   UNL     1       1.763   0.048  -0.287  1.00  0.00           C  
HETATM   10  C   UNL     1       3.032  -0.363  -0.683  1.00  0.00           C  
HETATM   11  C   UNL     1       4.124   0.415  -0.310  1.00  0.00           C  
HETATM   12  C   UNL     1       2.699   1.874   0.762  1.00  0.00           C  
HETATM   13  C   UNL     1       2.512   3.130   1.574  1.00  0.00           C  
HETATM   14  C   UNL     1       6.397   1.012  -0.178  1.00  0.00           C  
HETATM   15  C   UNL     1       5.721  -1.312  -0.216  1.00  0.00           C  
HETATM   16  C   UNL     1       9.464  -1.133  -0.601  1.00  0.00           C  
HETATM   17  C   UNL     1      10.476  -0.432   0.308  1.00  0.00           C  
HETATM   18  N   UNL     1       0.642  -0.694  -0.634  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.619  -0.220  -0.332  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.869   0.949   0.183  1.00  0.00           N  
HETATM   21  S   UNL     1      -2.071  -1.087  -0.583  1.00  0.00           S  
HETATM   22  N   UNL     1      -5.211  -0.734  -0.182  1.00  0.00           N  
HETATM   23  C   UNL     1      -6.590  -0.729   0.056  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.364   0.351  -0.351  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.725   0.352  -0.115  1.00  0.00           C  
HETATM   26 CL   UNL     1      -6.621   1.698  -1.156  1.00  0.00          Cl  
HETATM   27  O   UNL     1      -4.988   1.309   0.665  1.00  0.00           O  
HETATM   28  N   UNL     1       3.917   1.518   0.407  1.00  0.00           N  
HETATM   29  N   UNL     1       1.641   1.161   0.433  1.00  0.00           N  
HETATM   30  N   UNL     1       5.409   0.047  -0.680  1.00  0.00           N  
HETATM   31  C   UNL     1       7.790   0.615  -0.673  1.00  0.00           C  
HETATM   32  C   UNL     1       7.114  -1.709  -0.711  1.00  0.00           C  
HETATM   33  O   UNL     1      10.310  -0.893   1.651  1.00  0.00           O  
HETATM   34  H   UNL     1      -2.434   2.193   0.832  1.00  0.00           H  
HETATM   35  H   UNL     1     -10.382  -0.721   0.705  1.00  0.00           H  
HETATM   36  H   UNL     1      -9.016  -2.633   1.433  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.309  -3.716   0.342  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.345  -2.638   1.379  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.801  -3.429   2.028  1.00  0.00           H  
HETATM   40  H   UNL     1       3.166  -1.264  -1.264  1.00  0.00           H  
HETATM   41  H   UNL     1       2.374   3.978   0.903  1.00  0.00           H  
HETATM   42  H   UNL     1       1.634   3.023   2.211  1.00  0.00           H  
HETATM   43  H   UNL     1       3.392   3.296   2.194  1.00  0.00           H  
HETATM   44  H   UNL     1       6.151   2.009  -0.546  1.00  0.00           H  
HETATM   45  H   UNL     1       6.385   1.013   0.911  1.00  0.00           H  
HETATM   46  H   UNL     1       5.701  -1.338   0.874  1.00  0.00           H  
HETATM   47  H   UNL     1       4.983  -2.010  -0.610  1.00  0.00           H  
HETATM   48  H   UNL     1       9.575  -2.213  -0.503  1.00  0.00           H  
HETATM   49  H   UNL     1       9.642  -0.842  -1.636  1.00  0.00           H  
HETATM   50  H   UNL     1      11.487  -0.659  -0.031  1.00  0.00           H  
HETATM   51  H   UNL     1      10.313   0.645   0.271  1.00  0.00           H  
HETATM   52  H   UNL     1       0.745  -1.545  -1.088  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.797  -1.492  -0.623  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.327   1.190  -0.432  1.00  0.00           H  
HETATM   55  H   UNL     1       8.528   1.313  -0.279  1.00  0.00           H  
HETATM   56  H   UNL     1       7.810   0.641  -1.763  1.00  0.00           H  
HETATM   57  H   UNL     1       7.127  -1.709  -1.800  1.00  0.00           H  
HETATM   58  H   UNL     1       7.360  -2.705  -0.343  1.00  0.00           H  
HETATM   59  H   UNL     1      10.920  -0.489   2.283  1.00  0.00           H  
CONECT    1    2    2   20   34                                       
CONECT    2    1    1    3   21                                       
CONECT    3    2   22   27   27                                       
CONECT    4   16   31   32                                            
CONECT    5    6    6   25   35                                       
CONECT    6    5    5    7   36                                       
CONECT    7    6    8   23   23                                       
CONECT    8    7   37   38   39                                       
CONECT    9   10   18   29   29                                       
CONECT   10    9   11   11   40                                       
CONECT   11   10   10   28   30                                       
CONECT   12   13   28   28   29                                       
CONECT   13   12   41   42   43                                       
CONECT   14   30   31   44   45                                       
CONECT   15   30   32   46   47                                       
CONECT   16    4   17   48   49                                       
CONECT   17   16   33   50   51                                       
CONECT   18    9   19   52                                            
CONECT   19   18   20   20   21                                       
CONECT   20    1   19   19                                            
CONECT   21    2   19                                                 
CONECT   22    3   23   53                                            
CONECT   23    7    7   22   24                                       
CONECT   24   23   25   25   26                                       
CONECT   25    5   24   24   54                                       
CONECT   26   24                                                      
CONECT   27    3    3                                                 
CONECT   28   11   12   12                                            
CONECT   29    9    9   12                                            
CONECT   30   11   14   15                                            
CONECT   31    4   14   55   56                                       
CONECT   32    4   15   57   58                                       
CONECT   33   17   59                                                 
CONECT   34    1                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40   10                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   14                                                      
CONECT   46   15                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   16                                                      
CONECT   50   17                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   22                                                      
CONECT   54   25                                                      
CONECT   55   31                                                      
CONECT   56   31                                                      
CONECT   57   32                                                      
CONECT   58   32                                                      
CONECT   59   33                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
