COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.202  -0.739   0.853  1.00  0.00           N  
HETATM    2  N   UNL     1       4.650  -0.210  -1.325  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.927   1.950   0.953  1.00  0.00           C  
HETATM    4  C   UNL     1       1.402   1.563   0.856  1.00  0.00           C  
HETATM    5  C   UNL     1       2.497   0.613   1.350  1.00  0.00           C  
HETATM    6  C   UNL     1       0.856  -1.287   1.081  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.175  -0.261   0.598  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.366  -2.362   0.833  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.700  -5.968  -0.080  1.00  0.00           C  
HETATM   10  C   UNL     1       3.138  -1.456   0.199  1.00  0.00           C  
HETATM   11  C   UNL     1       5.831   0.353  -1.629  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.251   2.237  -0.366  1.00  0.00           C  
HETATM   13  N   UNL     1       0.087   1.033   1.241  1.00  0.00           N  
HETATM   14  C   UNL     1      -2.251   3.149  -0.648  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.261  -0.054   1.681  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.928   3.776   0.384  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.633  -3.691   0.175  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.367  -4.883   0.712  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.232  -5.657  -1.264  1.00  0.00           C  
HETATM   20  C   UNL     1       4.452  -0.845  -0.118  1.00  0.00           C  
HETATM   21  C   UNL     1       5.471  -0.906   0.778  1.00  0.00           C  
HETATM   22  C   UNL     1       6.753  -0.288   0.421  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.606   3.492   1.699  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.608   2.581   1.986  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.560  -0.732   0.959  1.00  0.00           C  
HETATM   26  N   UNL     1      -2.020  -1.905   0.481  1.00  0.00           N  
HETATM   27  N   UNL     1       6.869   0.325  -0.775  1.00  0.00           N  
HETATM   28  O   UNL     1       5.964   0.904  -2.705  1.00  0.00           O  
HETATM   29  O   UNL     1       7.693  -0.320   1.194  1.00  0.00           O  
HETATM   30  O   UNL     1       2.906  -2.602  -0.129  1.00  0.00           O  
HETATM   31  S   UNL     1      -4.341  -3.909  -1.421  1.00  0.00           S  
HETATM   32 CL   UNL     1      -2.658   3.508  -2.297  1.00  0.00          Cl  
HETATM   33 CL   UNL     1      -4.182   4.922   0.027  1.00  0.00          Cl  
HETATM   34  H   UNL     1       3.922  -0.166  -1.965  1.00  0.00           H  
HETATM   35  H   UNL     1       1.543   2.546   1.306  1.00  0.00           H  
HETATM   36  H   UNL     1       1.456   1.648  -0.229  1.00  0.00           H  
HETATM   37  H   UNL     1       2.513   0.606   2.440  1.00  0.00           H  
HETATM   38  H   UNL     1       3.465   0.940   0.970  1.00  0.00           H  
HETATM   39  H   UNL     1       0.739  -2.215   0.522  1.00  0.00           H  
HETATM   40  H   UNL     1       0.714  -1.475   2.145  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.099  -0.151  -0.484  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.099  -1.633   0.489  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.442  -2.471   1.915  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.537  -6.988   0.234  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.723   1.748  -1.171  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.925  -4.993   1.692  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.547  -6.370  -2.011  1.00  0.00           H  
HETATM   48  H   UNL     1       5.341  -1.398   1.731  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.135   3.983   2.503  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.357   2.361   3.013  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.459  -2.447  -0.096  1.00  0.00           H  
HETATM   52  H   UNL     1       7.709   0.741  -1.025  1.00  0.00           H  
CONECT    1   10    6    5                                            
CONECT    2   11   20   34                                            
CONECT    3   13   12   12   24                                       
CONECT    4    5   13   35   36                                       
CONECT    5    1    4   37   38                                       
CONECT    6    1    7   39   40                                       
CONECT    7    6   25   13   41                                       
CONECT    8   26   17   42   43                                       
CONECT    9   18   19   19   44                                       
CONECT   10   20   30   30    1                                       
CONECT   11   28   28   27    2                                       
CONECT   12    3    3   14   45                                       
CONECT   13    7    4    3                                            
CONECT   14   12   32   16   16                                       
CONECT   15   25   25                                                 
CONECT   16   14   14   23   33                                       
CONECT   17    8   31   18   18                                       
CONECT   18   17   17    9   46                                       
CONECT   19   31    9    9   47                                       
CONECT   20    2   21   21   10                                       
CONECT   21   22   20   20   48                                       
CONECT   22   27   29   29   21                                       
CONECT   23   24   24   16   49                                       
CONECT   24    3   23   23   50                                       
CONECT   25    7   15   15   26                                       
CONECT   26   25    8   51                                            
CONECT   27   11   22   52                                            
CONECT   28   11   11                                                 
CONECT   29   22   22                                                 
CONECT   30   10   10                                                 
CONECT   31   17   19                                                 
CONECT   32   14                                                      
CONECT   33   16                                                      
CONECT   34    2                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   12                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   21                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
