COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.659   2.290  -0.213  1.00  0.00           C  
HETATM    2  O   UNL     1      -1.344  -5.981   0.644  1.00  0.00           O  
HETATM    3  C   UNL     1       4.947   0.263   0.795  1.00  0.00           C  
HETATM    4  C   UNL     1       5.910   0.716  -0.082  1.00  0.00           C  
HETATM    5  C   UNL     1       5.554   1.525  -1.149  1.00  0.00           C  
HETATM    6  C   UNL     1       4.230   1.884  -1.342  1.00  0.00           C  
HETATM    7  C   UNL     1       3.258   1.437  -0.472  1.00  0.00           C  
HETATM    8  C   UNL     1       3.611   0.621   0.605  1.00  0.00           C  
HETATM    9  C   UNL     1       2.572   0.134   1.538  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.350  -3.968  -0.018  1.00  0.00           C  
HETATM   11  C   UNL     1       0.549  -3.345  -0.863  1.00  0.00           C  
HETATM   12  C   UNL     1       0.744  -1.980  -0.779  1.00  0.00           C  
HETATM   13  C   UNL     1       0.040  -1.237   0.150  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.178   0.181  -1.441  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.451   1.560  -0.637  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.874   1.571   1.714  1.00  0.00           C  
HETATM   17  C   UNL     1       0.253   0.253   0.242  1.00  0.00           C  
HETATM   18  C   UNL     1       1.184   0.578   1.386  1.00  0.00           C  
HETATM   19  C   UNL     1       0.489   1.363   2.243  1.00  0.00           C  
HETATM   20  O   UNL     1      -6.663   2.254  -0.898  1.00  0.00           O  
HETATM   21  O   UNL     1      -5.653   2.994   0.936  1.00  0.00           O  
HETATM   22  N   UNL     1      -0.555  -5.432  -0.104  1.00  0.00           N1+
HETATM   23  O   UNL     1       0.065  -6.086  -0.923  1.00  0.00           O1-
HETATM   24  O   UNL     1       0.968   1.876   3.400  1.00  0.00           O  
HETATM   25 CL   UNL     1       6.773   2.092  -2.247  1.00  0.00          Cl  
HETATM   26  O   UNL     1       2.870  -0.637   2.431  1.00  0.00           O  
HETATM   27  C   UNL     1      -0.859  -1.859   0.995  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.054  -3.225   0.911  1.00  0.00           C  
HETATM   29  O   UNL     1      -5.570   0.788  -2.603  1.00  0.00           O  
HETATM   30  C   UNL     1      -3.313   0.142  -2.224  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.454   0.827  -1.831  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.301   1.586   0.156  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.169   0.902  -0.251  1.00  0.00           C  
HETATM   34  O   UNL     1      -1.739   2.231   2.256  1.00  0.00           O  
HETATM   35  N   UNL     1      -1.015   0.926   0.542  1.00  0.00           N  
HETATM   36  H   UNL     1       5.225  -0.372   1.623  1.00  0.00           H  
HETATM   37  H   UNL     1       6.944   0.440   0.064  1.00  0.00           H  
HETATM   38  H   UNL     1       3.959   2.515  -2.175  1.00  0.00           H  
HETATM   39  H   UNL     1       2.226   1.718  -0.623  1.00  0.00           H  
HETATM   40  H   UNL     1       1.099  -3.926  -1.589  1.00  0.00           H  
HETATM   41  H   UNL     1       1.447  -1.493  -1.439  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.293  -0.355  -1.752  1.00  0.00           H  
HETATM   43  H   UNL     1       0.666   0.630  -0.694  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.469   3.457   1.172  1.00  0.00           H  
HETATM   45  H   UNL     1       0.329   2.415   3.886  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.409  -1.279   1.721  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.757  -3.712   1.571  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.615   1.491  -3.265  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.314  -0.423  -3.144  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.294   2.142   1.082  1.00  0.00           H  
CONECT    1   20   20   15   21                                       
CONECT    2   22   22                                                 
CONECT    3    4    4    8   36                                       
CONECT    4    3    3    5   37                                       
CONECT    5    4   25    6    6                                       
CONECT    6    5    5    7   38                                       
CONECT    7    8    8    6   39                                       
CONECT    8    3    9    7    7                                       
CONECT    9   26   26    8   18                                       
CONECT   10   11   22   28   28                                       
CONECT   11   12   12   10   40                                       
CONECT   12   11   11   13   41                                       
CONECT   13   12   17   27   27                                       
CONECT   14   33   30   30   42                                       
CONECT   15   32    1   31   31                                       
CONECT   16   19   34   34   35                                       
CONECT   17   18   13   35   43                                       
CONECT   18    9   19   19   17                                       
CONECT   19   24   18   18   16                                       
CONECT   20    1    1                                                 
CONECT   21    1   44                                                 
CONECT   22    2    2   10   23                                       
CONECT   23   22                                                      
CONECT   24   19   45                                                 
CONECT   25    5                                                      
CONECT   26    9    9                                                 
CONECT   27   13   13   28   46                                       
CONECT   28   10   10   27   47                                       
CONECT   29   31   48                                                 
CONECT   30   14   14   31   49                                       
CONECT   31   15   15   30   29                                       
CONECT   32   33   33   15   50                                       
CONECT   33   35   32   32   14                                       
CONECT   34   16   16                                                 
CONECT   35   17   16   33                                            
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   14                                                      
CONECT   43   17                                                      
CONECT   44   21                                                      
CONECT   45   24                                                      
CONECT   46   27                                                      
CONECT   47   28                                                      
CONECT   48   29                                                      
CONECT   49   30                                                      
CONECT   50   32                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
