COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -5.949  -2.400   3.469  1.00  0.00           N  
HETATM    2  N   UNL     1       1.843  -0.244   0.328  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.761   0.361   1.143  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.278   0.728   1.153  1.00  0.00           C  
HETATM    5  C   UNL     1       0.504  -0.349   0.446  1.00  0.00           C  
HETATM    6  C   UNL     1       2.577  -1.281  -0.250  1.00  0.00           C  
HETATM    7  C   UNL     1       2.050  -2.028  -1.283  1.00  0.00           C  
HETATM    8  C   UNL     1       4.576  -2.651  -0.423  1.00  0.00           C  
HETATM    9  C   UNL     1       5.751  -1.216   1.639  1.00  0.00           C  
HETATM   10  C   UNL     1       3.879  -1.586   0.205  1.00  0.00           C  
HETATM   11  C   UNL     1       1.137   2.718   0.735  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.667   3.804  -1.039  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.949   2.592  -0.425  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.260   1.924  -0.756  1.00  0.00           C  
HETATM   15 CL   UNL     1       2.898   4.756   0.479  1.00  0.00          Cl  
HETATM   16  C   UNL     1       1.416   3.925   0.125  1.00  0.00           C  
HETATM   17  C   UNL     1       0.511   4.469  -0.768  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.266   0.556  -0.226  1.00  0.00           N  
HETATM   19  S   UNL     1      -2.819  -0.716  -1.130  1.00  0.00           S  
HETATM   20  O   UNL     1      -2.700  -0.323  -2.490  1.00  0.00           O  
HETATM   21  O   UNL     1      -2.204  -1.882  -0.601  1.00  0.00           O  
HETATM   22  N   UNL     1      -4.441  -0.864  -0.827  1.00  0.00           N  
HETATM   23  C   UNL     1      -4.906  -1.721   0.266  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.120  -0.874   1.523  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.588  -1.735   2.621  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.410  -0.139  -1.652  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.046   2.044   0.460  1.00  0.00           C  
HETATM   28  O   UNL     1      -0.071  -1.311  -0.018  1.00  0.00           O  
HETATM   29  C   UNL     1       4.492  -0.875   1.244  1.00  0.00           C  
HETATM   30  C   UNL     1       6.438  -2.261   1.024  1.00  0.00           C  
HETATM   31  C   UNL     1       5.871  -2.974   0.011  1.00  0.00           C  
HETATM   32  C   UNL     1       3.943  -3.351  -1.463  1.00  0.00           C  
HETATM   33  N   UNL     1       2.733  -3.016  -1.844  1.00  0.00           N  
HETATM   34  H   UNL     1       2.295   0.555   0.642  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.885  -0.682   1.436  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.305   1.005   1.833  1.00  0.00           H  
HETATM   37  H   UNL     1       0.067   0.800   2.185  1.00  0.00           H  
HETATM   38  H   UNL     1       1.057  -1.803  -1.643  1.00  0.00           H  
HETATM   39  H   UNL     1       6.224  -0.667   2.440  1.00  0.00           H  
HETATM   40  H   UNL     1       1.844   2.294   1.432  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.375   4.229  -1.735  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.078   2.490  -0.310  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.389   1.893  -1.838  1.00  0.00           H  
HETATM   44  H   UNL     1       0.725   5.411  -1.251  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.846  -2.194  -0.018  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.159  -2.489   0.469  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.180  -0.401   1.807  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.867  -0.106   1.320  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.698  -0.757  -2.502  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.292   0.094  -1.056  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.960   0.787  -2.011  1.00  0.00           H  
HETATM   52  H   UNL     1       3.971  -0.062   1.729  1.00  0.00           H  
HETATM   53  H   UNL     1       7.435  -2.510   1.356  1.00  0.00           H  
HETATM   54  H   UNL     1       6.416  -3.781  -0.456  1.00  0.00           H  
HETATM   55  H   UNL     1       4.456  -4.164  -1.954  1.00  0.00           H  
CONECT    1   25   25   25                                            
CONECT    2    6    5   34                                            
CONECT    3    4   18   35   36                                       
CONECT    4    5    3   27   37                                       
CONECT    5    2    4   28   28                                       
CONECT    6   10   10    7    2                                       
CONECT    7   33   33    6   38                                       
CONECT    8   31   32   32   10                                       
CONECT    9   30   29   29   39                                       
CONECT   10    8   29    6    6                                       
CONECT   11   27   27   16   40                                       
CONECT   12   13   13   17   41                                       
CONECT   13   27   14   12   12                                       
CONECT   14   18   13   42   43                                       
CONECT   15   16                                                      
CONECT   16   11   15   17   17                                       
CONECT   17   16   16   12   44                                       
CONECT   18    3   19   14                                            
CONECT   19   21   21   18   20                                       
CONECT   19   20   22                                                 
CONECT   20   19   19                                                 
CONECT   21   19   19                                                 
CONECT   22   19   23   26                                            
CONECT   23   24   22   45   46                                       
CONECT   24   25   23   47   48                                       
CONECT   25   24    1    1    1                                       
CONECT   26   22   49   50   51                                       
CONECT   27    4   11   11   13                                       
CONECT   28    5    5                                                 
CONECT   29    9    9   10   52                                       
CONECT   30   31   31    9   53                                       
CONECT   31   30   30    8   54                                       
CONECT   32    8    8   33   55                                       
CONECT   33   32    7    7                                            
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    7                                                      
CONECT   39    9                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   17                                                      
CONECT   45   23                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   24                                                      
CONECT   49   26                                                      
CONECT   50   26                                                      
CONECT   51   26                                                      
CONECT   52   29                                                      
CONECT   53   30                                                      
CONECT   54   31                                                      
CONECT   55   32                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
