COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.161   0.243  -0.244  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.994  -0.481  -0.753  1.00  0.00           C  
HETATM    3  C   UNL     1       0.265   0.173  -0.245  1.00  0.00           C  
HETATM    4  O   UNL     1       0.195   1.148   0.472  1.00  0.00           O  
HETATM    5  O   UNL     1      -5.721   0.002  -2.040  1.00  0.00           O  
HETATM    6  C   UNL     1      -5.622   0.642  -1.012  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.815   1.297  -0.403  1.00  0.00           C  
HETATM    8  O   UNL     1      -7.909   1.203  -0.924  1.00  0.00           O  
HETATM    9  N   UNL     1      -6.652   1.996   0.741  1.00  0.00           N  
HETATM   10  C   UNL     1      -7.802   2.653   1.368  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.465   1.689   2.353  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.403   2.091   1.318  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.339   1.508   0.778  1.00  0.00           C  
HETATM   14  N   UNL     1      -4.430   0.771  -0.390  1.00  0.00           N  
HETATM   15  C   UNL     1      -3.330   0.193  -0.912  1.00  0.00           C  
HETATM   16  O   UNL     1      -3.392  -0.374  -1.985  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.044  -1.911  -0.278  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.678  -2.935  -1.132  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.723  -4.246  -0.699  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.137  -4.535   0.593  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.187  -5.824   1.020  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.503  -3.505   1.448  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.451  -2.195   1.012  1.00  0.00           C  
HETATM   24  N   UNL     1       1.469  -0.327  -0.587  1.00  0.00           N  
HETATM   25  C   UNL     1       2.693   0.309  -0.093  1.00  0.00           C  
HETATM   26  B   UNL     1       3.365   1.124  -1.255  1.00  0.00           B  
HETATM   27  O   UNL     1       3.560   2.524  -1.120  1.00  0.00           O  
HETATM   28  O   UNL     1       3.777   0.461  -2.441  1.00  0.00           O  
HETATM   29  C   UNL     1       3.662  -0.766   0.402  1.00  0.00           C  
HETATM   30  C   UNL     1       4.921  -0.112   0.910  1.00  0.00           C  
HETATM   31  C   UNL     1       5.973   0.120   0.048  1.00  0.00           C  
HETATM   32  C   UNL     1       7.138   0.726   0.520  1.00  0.00           C  
HETATM   33  C   UNL     1       8.268   0.978  -0.398  1.00  0.00           C  
HETATM   34  O   UNL     1       8.184   0.657  -1.566  1.00  0.00           O  
HETATM   35  O   UNL     1       9.391   1.563   0.061  1.00  0.00           O  
HETATM   36  C   UNL     1       7.231   1.095   1.864  1.00  0.00           C  
HETATM   37  C   UNL     1       6.172   0.857   2.715  1.00  0.00           C  
HETATM   38  C   UNL     1       5.018   0.260   2.239  1.00  0.00           C  
HETATM   39  H   UNL     1      -2.093   0.757   0.576  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.000  -0.460  -1.843  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.466   3.543   1.901  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.521   2.939   0.600  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.747   1.402   3.121  1.00  0.00           H  
HETATM   44  H   UNL     1      -9.321   2.177   2.820  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.801   0.799   1.821  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.287   2.653   2.233  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.380   1.605   1.266  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.356  -2.710  -2.138  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.438  -5.046  -1.367  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.036  -6.259   0.859  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.826  -3.728   2.454  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.736  -1.394   1.677  1.00  0.00           H  
HETATM   53  H   UNL     1       1.526  -1.107  -1.161  1.00  0.00           H  
HETATM   54  H   UNL     1       2.447   0.983   0.728  1.00  0.00           H  
HETATM   55  H   UNL     1       3.981   2.938  -1.886  1.00  0.00           H  
HETATM   56  H   UNL     1       4.180   1.045  -3.098  1.00  0.00           H  
HETATM   57  H   UNL     1       3.196  -1.332   1.209  1.00  0.00           H  
HETATM   58  H   UNL     1       3.909  -1.439  -0.419  1.00  0.00           H  
HETATM   59  H   UNL     1       5.895  -0.168  -0.990  1.00  0.00           H  
HETATM   60  H   UNL     1      10.104   1.707  -0.577  1.00  0.00           H  
HETATM   61  H   UNL     1       8.130   1.564   2.236  1.00  0.00           H  
HETATM   62  H   UNL     1       6.242   1.141   3.755  1.00  0.00           H  
HETATM   63  H   UNL     1       4.190   0.080   2.909  1.00  0.00           H  
CONECT    1   15    2   39                                            
CONECT    2   17    1    3   40                                       
CONECT    3    2   24    4    4                                       
CONECT    4    3    3                                                 
CONECT    5    6    6                                                 
CONECT    6   14    7    5    5                                       
CONECT    7    9    6    8    8                                       
CONECT    8    7    7                                                 
CONECT    9   12    7   10                                            
CONECT   10    9   11   41   42                                       
CONECT   11   10   43   44   45                                       
CONECT   12   13   13    9   46                                       
CONECT   13   14   12   12   47                                       
CONECT   14   15   13    6                                            
CONECT   15   16   16   14    1                                       
CONECT   16   15   15                                                 
CONECT   17   23   23   18    2                                       
CONECT   18   19   19   17   48                                       
CONECT   19   20   18   18   49                                       
CONECT   20   21   22   22   19                                       
CONECT   21   20   50                                                 
CONECT   22   20   20   23   51                                       
CONECT   23   22   17   17   52                                       
CONECT   24    3   25   53                                            
CONECT   25   24   29   26   54                                       
CONECT   26   28   25   27                                            
CONECT   27   26   55                                                 
CONECT   28   26   56                                                 
CONECT   29   30   25   57   58                                       
CONECT   30   31   29   38   38                                       
CONECT   31   32   32   30   59                                       
CONECT   32   33   31   31   36                                       
CONECT   33   34   34   35   32                                       
CONECT   34   33   33                                                 
CONECT   35   33   60                                                 
CONECT   36   32   37   37   61                                       
CONECT   37   36   36   38   62                                       
CONECT   38   30   30   37   63                                       
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   18                                                      
CONECT   49   19                                                      
CONECT   50   21                                                      
CONECT   51   22                                                      
CONECT   52   23                                                      
CONECT   53   24                                                      
CONECT   54   25                                                      
CONECT   55   27                                                      
CONECT   56   28                                                      
CONECT   57   29                                                      
CONECT   58   29                                                      
CONECT   59   31                                                      
CONECT   60   35                                                      
CONECT   61   36                                                      
CONECT   62   37                                                      
CONECT   63   38                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
