COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.256  -1.758   0.508  1.00  0.00           C  
HETATM    2  C   UNL     1       4.393  -2.858   0.645  1.00  0.00           C  
HETATM    3  C   UNL     1       4.951  -4.101   0.986  1.00  0.00           C  
HETATM    4  C   UNL     1       3.170  -1.136   0.118  1.00  0.00           C  
HETATM    5  N   UNL     1       6.266  -4.178   1.162  1.00  0.00           N  
HETATM    6  N   UNL     1       6.559  -1.931   0.704  1.00  0.00           N  
HETATM    7  C   UNL     1      -6.483  -0.746   0.093  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.704  -0.159  -0.185  1.00  0.00           C  
HETATM    9 BR   UNL     1      -8.736   0.586   1.213  1.00  0.00          Br  
HETATM   10  C   UNL     1      -8.171  -0.118  -1.487  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.417  -0.662  -2.509  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.196  -1.249  -2.231  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.727  -1.286  -0.931  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.396  -1.925  -0.629  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.291  -0.872  -0.726  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.997  -1.493  -0.432  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.872  -0.751  -0.458  1.00  0.00           C  
HETATM   18  O   UNL     1      -0.930   0.430  -0.726  1.00  0.00           O  
HETATM   19  C   UNL     1       0.459  -1.390  -0.156  1.00  0.00           C  
HETATM   20  S   UNL     1       1.767  -0.144  -0.271  1.00  0.00           S  
HETATM   21  N   UNL     1       3.135  -2.416   0.395  1.00  0.00           N  
HETATM   22  N   UNL     1       4.149  -5.220   1.135  1.00  0.00           N  
HETATM   23  C   UNL     1       7.038  -3.116   1.023  1.00  0.00           C  
HETATM   24  N   UNL     1       4.460  -0.685   0.181  1.00  0.00           N  
HETATM   25  C   UNL     1       4.912   0.687  -0.065  1.00  0.00           C  
HETATM   26  O   UNL     1       4.009   1.632   0.549  1.00  0.00           O  
HETATM   27  C   UNL     1       4.859   1.009  -1.574  1.00  0.00           C  
HETATM   28  O   UNL     1       6.151   0.860  -2.165  1.00  0.00           O  
HETATM   29  C   UNL     1       4.403   2.485  -1.627  1.00  0.00           C  
HETATM   30  O   UNL     1       5.401   3.295  -2.252  1.00  0.00           O  
HETATM   31  C   UNL     1       4.236   2.880  -0.141  1.00  0.00           C  
HETATM   32  C   UNL     1       3.035   3.811   0.032  1.00  0.00           C  
HETATM   33  N   UNL     1       2.966   4.267   1.422  1.00  0.00           N  
HETATM   34  N   UNL     1       3.028   5.365   1.657  1.00  0.00           N1+
HETATM   35  N   UNL     1       3.089   6.462   1.892  1.00  0.00           N1-
HETATM   36  H   UNL     1      -6.118  -0.779   1.109  1.00  0.00           H  
HETATM   37  H   UNL     1      -9.125   0.340  -1.705  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.781  -0.630  -3.525  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.607  -1.674  -3.030  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.413  -2.341   0.379  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.203  -2.721  -1.347  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.273  -0.455  -1.733  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.483  -0.075  -0.007  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.950  -2.438  -0.218  1.00  0.00           H  
HETATM   45  H   UNL     1       0.442  -1.806   0.851  1.00  0.00           H  
HETATM   46  H   UNL     1       0.652  -2.186  -0.875  1.00  0.00           H  
HETATM   47  H   UNL     1       3.190  -5.151   1.004  1.00  0.00           H  
HETATM   48  H   UNL     1       4.546  -6.074   1.371  1.00  0.00           H  
HETATM   49  H   UNL     1       8.102  -3.223   1.175  1.00  0.00           H  
HETATM   50  H   UNL     1       5.924   0.826   0.317  1.00  0.00           H  
HETATM   51  H   UNL     1       4.134   0.368  -2.076  1.00  0.00           H  
HETATM   52  H   UNL     1       6.175   1.050  -3.113  1.00  0.00           H  
HETATM   53  H   UNL     1       3.453   2.573  -2.155  1.00  0.00           H  
HETATM   54  H   UNL     1       5.193   4.240  -2.258  1.00  0.00           H  
HETATM   55  H   UNL     1       5.144   3.357   0.229  1.00  0.00           H  
HETATM   56  H   UNL     1       3.145   4.672  -0.628  1.00  0.00           H  
HETATM   57  H   UNL     1       2.120   3.275  -0.220  1.00  0.00           H  
CONECT    1   24    6    6    2                                       
CONECT    2    1   21    3    3                                       
CONECT    3    2    2    5   22                                       
CONECT    4   20   24   21   21                                       
CONECT    5   23   23    3                                            
CONECT    6    1    1   23                                            
CONECT    7    8    8   13   36                                       
CONECT    8   10    9    7    7                                       
CONECT    9    8                                                      
CONECT   10   11   11    8   37                                       
CONECT   11   10   10   12   38                                       
CONECT   12   11   13   13   39                                       
CONECT   13   12   12    7   14                                       
CONECT   14   13   15   40   41                                       
CONECT   15   16   14   42   43                                       
CONECT   16   17   15   44                                            
CONECT   17   19   18   18   16                                       
CONECT   18   17   17                                                 
CONECT   19   20   17   45   46                                       
CONECT   20    4   19                                                 
CONECT   21    4    4    2                                            
CONECT   22    3   47   48                                            
CONECT   23    6    5    5   49                                       
CONECT   24   25    4    1                                            
CONECT   25   27   26   24   50                                       
CONECT   26   31   25                                                 
CONECT   27   29   28   25   51                                       
CONECT   28   27   52                                                 
CONECT   29   30   31   27   53                                       
CONECT   30   29   54                                                 
CONECT   31   29   32   26   55                                       
CONECT   32   33   31   56   57                                       
CONECT   33   32   34   34                                            
CONECT   34   33   33   35   35                                       
CONECT   35   34   34                                                 
CONECT   36    7                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   22                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   25                                                      
CONECT   51   27                                                      
CONECT   52   28                                                      
CONECT   53   29                                                      
CONECT   54   30                                                      
CONECT   55   31                                                      
CONECT   56   32                                                      
CONECT   57   32                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
