COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNK     1       4.531  -0.450  -0.209  1.00  0.00           N  
HETATM    2  C   UNK     1       3.574  -1.340   0.461  1.00  0.00           C  
HETATM    3  C   UNK     1       2.178  -1.126  -0.128  1.00  0.00           C  
HETATM    4  O   UNK     1       1.734   0.199   0.169  1.00  0.00           O  
HETATM    5  C   UNK     1       3.992  -2.773   0.254  1.00  0.00           C  
HETATM    6  O   UNK     1       4.739  -3.060  -0.651  1.00  0.00           O  
HETATM    7  O   UNK     1       3.534  -3.731   1.076  1.00  0.00           O  
HETATM    8  N   UNK     1       0.948   2.789  -0.433  1.00  0.00           N  
HETATM    9  C   UNK     1      -0.071   1.797  -0.083  1.00  0.00           C  
HETATM   10  C   UNK     1      -1.329   2.041  -0.919  1.00  0.00           C  
HETATM   11  C   UNK     1      -2.378   1.020  -0.558  1.00  0.00           C  
HETATM   12  C   UNK     1      -3.280   1.285   0.456  1.00  0.00           C  
HETATM   13  C   UNK     1      -4.242   0.349   0.787  1.00  0.00           C  
HETATM   14  C   UNK     1      -2.441  -0.178  -1.245  1.00  0.00           C  
HETATM   15  C   UNK     1      -3.399  -1.117  -0.911  1.00  0.00           C  
HETATM   16  C   UNK     1      -4.302  -0.853   0.103  1.00  0.00           C  
HETATM   17 CL   UNK     1      -5.510  -2.028   0.518  1.00  0.00          Cl  
HETATM   18  O   UNK     1      -0.352  -0.597   0.169  1.00  0.00           O  
HETATM   19  O   UNK     1       0.564   0.137  -1.731  1.00  0.00           O  
HETATM   20  B   UNK     1       0.489   0.331  -0.380  1.00  0.00           B1-
HETATM   21  C   UNK     1       1.640   3.416   0.538  1.00  0.00           C  
HETATM   22  O   UNK     1       1.357   3.229   1.702  1.00  0.00           O  
HETATM   23  C   UNK     1       2.767   4.350   0.178  1.00  0.00           C  
HETATM   24  H   UNK     1       5.446  -0.697   0.135  1.00  0.00           H  
HETATM   25  H   UNK     1       4.514  -0.690  -1.189  1.00  0.00           H  
HETATM   26  H   UNK     1       3.556  -1.118   1.528  1.00  0.00           H  
HETATM   27  H   UNK     1       1.486  -1.847   0.305  1.00  0.00           H  
HETATM   28  H   UNK     1       2.216  -1.262  -1.209  1.00  0.00           H  
HETATM   29  H   UNK     1       3.802  -4.651   0.943  1.00  0.00           H  
HETATM   30  H   UNK     1       1.124   2.995  -1.365  1.00  0.00           H  
HETATM   31  H   UNK     1      -0.315   1.885   0.976  1.00  0.00           H  
HETATM   32  H   UNK     1      -1.712   3.041  -0.716  1.00  0.00           H  
HETATM   33  H   UNK     1      -1.085   1.953  -1.977  1.00  0.00           H  
HETATM   34  H   UNK     1      -3.233   2.222   0.989  1.00  0.00           H  
HETATM   35  H   UNK     1      -4.946   0.555   1.579  1.00  0.00           H  
HETATM   36  H   UNK     1      -1.736  -0.384  -2.037  1.00  0.00           H  
HETATM   37  H   UNK     1      -3.445  -2.054  -1.445  1.00  0.00           H  
HETATM   38  H   UNK     1      -0.376  -0.425   1.120  1.00  0.00           H  
HETATM   39  H   UNK     1       1.107   0.853  -2.086  1.00  0.00           H  
HETATM   40  H   UNK     1       3.205   4.760   1.088  1.00  0.00           H  
HETATM   41  H   UNK     1       3.529   3.803  -0.377  1.00  0.00           H  
HETATM   42  H   UNK     1       2.382   5.163  -0.438  1.00  0.00           H  
CONECT    1    2   24   25                                            
CONECT    2    1    3    5   26                                       
CONECT    3    2    4   27   28                                       
CONECT    4    3   20                                                 
CONECT    5    2    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5   29                                                 
CONECT    8    9   21   30                                            
CONECT    9    8   10   20   31                                       
CONECT   10    9   11   32   33                                       
CONECT   11   10   12   12   14                                       
CONECT   12   11   11   13   34                                       
CONECT   13   12   16   16   35                                       
CONECT   14   11   15   15   36                                       
CONECT   15   14   14   16   37                                       
CONECT   16   13   13   15   17                                       
CONECT   17   16                                                      
CONECT   18   20   38                                                 
CONECT   19   20   39                                                 
CONECT   20    4    9   18   19                                       
CONECT   21    8   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   40   41   42                                       
CONECT   24    1                                                      
CONECT   25    1                                                      
CONECT   26    2                                                      
CONECT   27    3                                                      
CONECT   28    3                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   23                                                      
CONECT   41   23                                                      
CONECT   42   23                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
