COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.300  -0.336   0.090  1.00  0.00           C  
HETATM    2  N   UNL     1       6.323   1.853  -0.353  1.00  0.00           N1+
HETATM    3  O   UNL     1       5.825   2.963  -0.287  1.00  0.00           O  
HETATM    4  C   UNL     1       3.879  -1.616   0.013  1.00  0.00           C  
HETATM    5  N   UNL     1       1.309   1.034   0.486  1.00  0.00           N  
HETATM    6  O   UNL     1       7.522   1.732  -0.524  1.00  0.00           O1-
HETATM    7  C   UNL     1       5.252  -1.740  -0.184  1.00  0.00           C  
HETATM    8  O   UNL     1       2.323  -2.966   1.114  1.00  0.00           O  
HETATM    9  C   UNL     1       6.038  -0.609  -0.302  1.00  0.00           C  
HETATM   10  O   UNL     1       3.055  -3.764  -0.824  1.00  0.00           O  
HETATM   11  C   UNL     1       5.469   0.650  -0.226  1.00  0.00           C  
HETATM   12  O   UNL     1       1.128  -1.172   0.300  1.00  0.00           O  
HETATM   13  C   UNL     1       4.107   0.792  -0.037  1.00  0.00           C  
HETATM   14  O   UNL     1      -3.108  -0.470  -0.599  1.00  0.00           O  
HETATM   15  C   UNL     1       3.035  -2.823   0.140  1.00  0.00           C  
HETATM   16  C   UNL     1       1.843  -0.189   0.298  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.079   1.187   0.560  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.624   2.256   1.260  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.996   2.406   1.334  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.828   1.495   0.712  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.444  -0.222  -0.589  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.289   0.425   0.011  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.913   0.274  -0.070  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.977   0.751  -1.422  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.336   1.000  -1.410  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.165   0.282  -0.568  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.646   0.556  -0.557  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.636  -0.688   0.263  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.542  -1.469   1.179  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.279  -0.946   0.251  1.00  0.00           C  
HETATM   31  H   UNL     1       1.887   1.808   0.570  1.00  0.00           H  
HETATM   32  H   UNL     1       5.704  -2.719  -0.244  1.00  0.00           H  
HETATM   33  H   UNL     1       7.102  -0.708  -0.454  1.00  0.00           H  
HETATM   34  H   UNL     1       2.486  -4.535  -0.696  1.00  0.00           H  
HETATM   35  H   UNL     1       3.668   1.778   0.016  1.00  0.00           H  
HETATM   36  H   UNL     1       0.024   2.969   1.747  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.418   3.238   1.878  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.900   1.615   0.773  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.492  -0.556  -0.618  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.330   1.313  -2.080  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.751   1.758  -2.059  1.00  0.00           H  
HETATM   42  H   UNL     1      -9.139  -0.083  -1.290  1.00  0.00           H  
HETATM   43  H   UNL     1      -9.047   0.347   0.435  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.824   1.602  -0.809  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.897  -2.362   0.665  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.992  -1.760   2.074  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.394  -0.851   1.462  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.867  -1.706   0.898  1.00  0.00           H  
CONECT    1   16    4    4   13                                       
CONECT    2   11    6    3    3                                       
CONECT    3    2    2                                                 
CONECT    4    1    1   15    7                                       
CONECT    5   17   31   16                                            
CONECT    6    2                                                      
CONECT    7    4   32    9    9                                       
CONECT    8   15   15                                                 
CONECT    9    7    7   11   33                                       
CONECT   10   34   15                                                 
CONECT   11    2    9   13   13                                       
CONECT   12   16   16                                                 
CONECT   13   11   11    1   35                                       
CONECT   14   21   22                                                 
CONECT   15    4    8    8   10                                       
CONECT   16    1    5   12   12                                       
CONECT   17    5   18   18   23                                       
CONECT   18   17   17   19   36                                       
CONECT   19   18   20   20   37                                       
CONECT   20   19   19   38   22                                       
CONECT   21   14   24   30   30                                       
CONECT   22   14   20   23   23                                       
CONECT   23   17   22   22   39                                       
CONECT   24   21   25   25   40                                       
CONECT   25   24   24   41   26                                       
CONECT   26   25   27   28   28                                       
CONECT   27   26   42   43   44                                       
CONECT   28   26   26   29   30                                       
CONECT   29   28   45   46   47                                       
CONECT   30   21   21   28   48                                       
CONECT   31    5                                                      
CONECT   32    7                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   13                                                      
CONECT   36   18                                                      
CONECT   37   19                                                      
CONECT   38   20                                                      
CONECT   39   23                                                      
CONECT   40   24                                                      
CONECT   41   25                                                      
CONECT   42   27                                                      
CONECT   43   27                                                      
CONECT   44   27                                                      
CONECT   45   29                                                      
CONECT   46   29                                                      
CONECT   47   29                                                      
CONECT   48   30                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
