COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.433  -0.268   1.137  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.085   1.574   1.786  1.00  0.00           C  
HETATM    3  C   UNL     1       0.181   0.133   1.433  1.00  0.00           C  
HETATM    4  C   UNL     1       1.699  -1.621   0.917  1.00  0.00           C  
HETATM    5  C   UNL     1       0.880  -2.596   1.447  1.00  0.00           C  
HETATM    6  C   UNL     1       2.134  -4.321   0.543  1.00  0.00           C  
HETATM    7  C   UNL     1       4.127  -3.837  -0.808  1.00  0.00           C  
HETATM    8  C   UNL     1       3.688  -1.099  -0.437  1.00  0.00           C  
HETATM    9  C   UNL     1       0.397   2.456   0.664  1.00  0.00           C  
HETATM   10  C   UNL     1       2.267   3.520  -0.412  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.449   2.991  -0.282  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.940   2.761  -0.253  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.690  -1.092  -2.061  1.00  0.00           C  
HETATM   14 CL   UNL     1       3.969   3.853  -0.482  1.00  0.00          Cl  
HETATM   15  C   UNL     1       1.757   2.728   0.598  1.00  0.00           C  
HETATM   16  C   UNL     1       1.416   4.049  -1.366  1.00  0.00           C  
HETATM   17  C   UNL     1       0.064   3.783  -1.299  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.259   1.707   0.716  1.00  0.00           N  
HETATM   19  S   UNL     1      -3.336   0.502   0.356  1.00  0.00           S  
HETATM   20  O   UNL     1      -3.532  -0.173   1.590  1.00  0.00           O  
HETATM   21  O   UNL     1      -4.409   1.173  -0.290  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.450  -0.560  -0.818  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.413  -1.602  -1.389  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.557  -1.672  -2.911  1.00  0.00           C  
HETATM   25  O   UNL     1      -3.496  -2.829  -0.661  1.00  0.00           O  
HETATM   26  C   UNL     1      -2.285  -3.193   0.004  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.583   1.765   2.023  1.00  0.00           C  
HETATM   28  O   UNL     1      -0.732  -0.665   1.416  1.00  0.00           O  
HETATM   29  C   UNL     1       2.809  -2.023   0.143  1.00  0.00           C  
HETATM   30  C   UNL     1       4.742  -1.548  -1.174  1.00  0.00           C  
HETATM   31  C   UNL     1       4.962  -2.912  -1.357  1.00  0.00           C  
HETATM   32  C   UNL     1       3.027  -3.412  -0.046  1.00  0.00           C  
HETATM   33  N   UNL     1       1.117  -3.885   1.248  1.00  0.00           N  
HETATM   34  H   UNL     1       2.148   0.384   1.073  1.00  0.00           H  
HETATM   35  H   UNL     1       0.457   1.826   2.698  1.00  0.00           H  
HETATM   36  H   UNL     1       0.025  -2.303   2.038  1.00  0.00           H  
HETATM   37  H   UNL     1       2.284  -5.383   0.414  1.00  0.00           H  
HETATM   38  H   UNL     1       4.310  -4.891  -0.959  1.00  0.00           H  
HETATM   39  H   UNL     1       3.532  -0.039  -0.300  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.444   3.684   0.035  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.279   2.456  -1.243  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.593  -1.692  -1.948  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.843  -0.013  -2.096  1.00  0.00           H  
HETATM   44  H   UNL     1       2.422   2.315   1.342  1.00  0.00           H  
HETATM   45  H   UNL     1       1.809   4.668  -2.159  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.600   4.195  -2.045  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.051   0.049  -1.629  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.631  -1.064  -0.305  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.716  -2.654  -3.357  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.966  -0.975  -3.505  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.466  -3.208  -0.715  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.069  -2.467   0.787  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.398  -4.182   0.448  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.958   0.970   2.667  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.762   2.733   2.489  1.00  0.00           H  
HETATM   56  H   UNL     1       5.420  -0.836  -1.622  1.00  0.00           H  
HETATM   57  H   UNL     1       5.808  -3.240  -1.942  1.00  0.00           H  
CONECT    1    4    3   34                                            
CONECT    2    3   27    9   35                                       
CONECT    3    1    2   28   28                                       
CONECT    4   29   29    5    1                                       
CONECT    5   33   33    4   36                                       
CONECT    6   32   32   33   37                                       
CONECT    7   31   31   32   38                                       
CONECT    8   30   30   29   39                                       
CONECT    9    2   15   15   11                                       
CONECT   10   15   14   16   16                                       
CONECT   11    9   12   17   17                                       
CONECT   12   18   11   40   41                                       
CONECT   13   24   23   42   43                                       
CONECT   14   10                                                      
CONECT   15    9    9   10   44                                       
CONECT   16   10   10   17   45                                       
CONECT   17   11   11   16   46                                       
CONECT   18   27   19   12                                            
CONECT   19   21   21   22   18                                       
CONECT   19   20   20                                                 
CONECT   20   19   19                                                 
CONECT   21   19   19                                                 
CONECT   22   19   23   47   48                                       
CONECT   23   24   13   22   25                                       
CONECT   24   13   23   49   50                                       
CONECT   25   23   26                                                 
CONECT   26   25   51   52   53                                       
CONECT   27    2   18   54   55                                       
CONECT   28    3    3                                                 
CONECT   29   32    8    4    4                                       
CONECT   30   31    8    8   56                                       
CONECT   31    7    7   30   57                                       
CONECT   32    7    6    6   29                                       
CONECT   33    6    5    5                                            
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   13                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   17                                                      
CONECT   47   22                                                      
CONECT   48   22                                                      
CONECT   49   24                                                      
CONECT   50   24                                                      
CONECT   51   26                                                      
CONECT   52   26                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
CONECT   55   27                                                      
CONECT   56   30                                                      
CONECT   57   31                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
