COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.281   2.620   0.401  1.00  0.00           C  
HETATM    2  C   UNL     1       0.774   3.853  -0.350  1.00  0.00           C  
HETATM    3  C   UNL     1       1.035   2.799   1.901  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.772   1.349   0.071  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.829   0.215  -0.316  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.481  -0.989  -0.091  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.862  -1.028  -0.049  1.00  0.00           C  
HETATM    8  N   UNL     1       0.566   1.432  -0.072  1.00  0.00           N  
HETATM    9  N   UNL     1      -1.430   0.256  -0.365  1.00  0.00           N  
HETATM   10  N   UNL     1      -5.558  -2.311   0.191  1.00  0.00           N1+
HETATM   11  C   UNL     1      -4.945   1.334  -0.456  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.593   0.133  -0.231  1.00  0.00           C  
HETATM   13  O   UNL     1      -4.915  -3.333   0.351  1.00  0.00           O  
HETATM   14  O   UNL     1      -6.775  -2.346   0.228  1.00  0.00           O1-
HETATM   15 CL   UNL     1      -7.328   0.081  -0.177  1.00  0.00          Cl  
HETATM   16  C   UNL     1      -3.565   1.379  -0.498  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.385   2.260   0.592  1.00  0.00           O  
HETATM   18  C   UNL     1       2.757   2.450   0.151  1.00  0.00           C  
HETATM   19  C   UNL     1       3.297   1.185   0.052  1.00  0.00           C  
HETATM   20  C   UNL     1       4.665   1.030  -0.180  1.00  0.00           C  
HETATM   21  C   UNL     1       5.477   2.158  -0.311  1.00  0.00           C  
HETATM   22  C   UNL     1       4.923   3.418  -0.210  1.00  0.00           C  
HETATM   23  C   UNL     1       3.566   3.565   0.015  1.00  0.00           C  
HETATM   24  C   UNL     1       5.251  -0.321  -0.287  1.00  0.00           C  
HETATM   25  C   UNL     1       6.728  -0.484  -0.538  1.00  0.00           C  
HETATM   26  N   UNL     1       4.496  -1.364  -0.165  1.00  0.00           N  
HETATM   27  O   UNL     1       5.058  -2.660  -0.267  1.00  0.00           O  
HETATM   28  C   UNL     1       4.110  -3.718  -0.112  1.00  0.00           C  
HETATM   29  C   UNL     1       4.824  -5.065  -0.241  1.00  0.00           C  
HETATM   30  N   UNL     1       5.770  -5.226   0.872  1.00  0.00           N  
HETATM   31  H   UNL     1      -0.294   3.976  -0.169  1.00  0.00           H  
HETATM   32  H   UNL     1       1.306   4.737   0.003  1.00  0.00           H  
HETATM   33  H   UNL     1       0.949   3.725  -1.418  1.00  0.00           H  
HETATM   34  H   UNL     1       1.395   1.921   2.436  1.00  0.00           H  
HETATM   35  H   UNL     1       1.567   3.683   2.253  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.033   2.922   2.082  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.911  -1.895   0.050  1.00  0.00           H  
HETATM   38  H   UNL     1       1.055   0.705  -0.488  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.934  -0.502  -0.712  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.518   2.239  -0.597  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.060   2.316  -0.678  1.00  0.00           H  
HETATM   42  H   UNL     1       2.664   0.317   0.155  1.00  0.00           H  
HETATM   43  H   UNL     1       6.536   2.045  -0.491  1.00  0.00           H  
HETATM   44  H   UNL     1       5.550   4.292  -0.311  1.00  0.00           H  
HETATM   45  H   UNL     1       3.138   4.553   0.093  1.00  0.00           H  
HETATM   46  H   UNL     1       7.255  -0.530   0.415  1.00  0.00           H  
HETATM   47  H   UNL     1       6.902  -1.406  -1.093  1.00  0.00           H  
HETATM   48  H   UNL     1       7.094   0.363  -1.116  1.00  0.00           H  
HETATM   49  H   UNL     1       3.643  -3.647   0.870  1.00  0.00           H  
HETATM   50  H   UNL     1       3.346  -3.637  -0.885  1.00  0.00           H  
HETATM   51  H   UNL     1       4.089  -5.870  -0.211  1.00  0.00           H  
HETATM   52  H   UNL     1       5.365  -5.101  -1.186  1.00  0.00           H  
HETATM   53  H   UNL     1       6.255  -6.109   0.809  1.00  0.00           H  
HETATM   54  H   UNL     1       6.423  -4.457   0.905  1.00  0.00           H  
CONECT    1    2    8   18    3                                       
CONECT    2    1   31   32   33                                       
CONECT    3    1   34   35   36                                       
CONECT    4   17   17    9    8                                       
CONECT    5    6    6   16    9                                       
CONECT    6    7    5    5   37                                       
CONECT    7   10   12   12    6                                       
CONECT    8    4    1   38                                            
CONECT    9    5    4   39                                            
CONECT   10   14   13   13    7                                       
CONECT   11   12   16   16   40                                       
CONECT   12   15    7    7   11                                       
CONECT   13   10   10                                                 
CONECT   14   10                                                      
CONECT   15   12                                                      
CONECT   16   11   11    5   41                                       
CONECT   17    4    4                                                 
CONECT   18   23    1   19   19                                       
CONECT   19   18   18   20   42                                       
CONECT   20   21   21   19   24                                       
CONECT   21   22   20   20   43                                       
CONECT   22   23   23   21   44                                       
CONECT   23   22   22   18   45                                       
CONECT   24   20   26   26   25                                       
CONECT   25   24   46   47   48                                       
CONECT   26   24   24   27                                            
CONECT   27   26   28                                                 
CONECT   28   27   29   49   50                                       
CONECT   29   28   30   51   52                                       
CONECT   30   29   53   54                                            
CONECT   31    2                                                      
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    6                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   11                                                      
CONECT   41   16                                                      
CONECT   42   19                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   25                                                      
CONECT   47   25                                                      
CONECT   48   25                                                      
CONECT   49   28                                                      
CONECT   50   28                                                      
CONECT   51   29                                                      
CONECT   52   29                                                      
CONECT   53   30                                                      
CONECT   54   30                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
