COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.421   0.400  -0.482  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.703   2.234  -0.749  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.415   1.804  -0.416  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.465  -0.521  -0.288  1.00  0.00           N  
HETATM    5  C   UNL     1       0.525  -2.502  -0.540  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.085  -4.007   0.660  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.697   0.026  -0.801  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.866  -3.791   2.159  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.263   2.652  -0.041  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.418   4.036   0.039  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.360   4.861   0.362  1.00  0.00           C  
HETATM   12  N   UNL     1      -4.458   1.189  -0.977  1.00  0.00           N  
HETATM   13  C   UNL     1       0.874   4.289   0.615  1.00  0.00           C  
HETATM   14  C   UNL     1       1.055   2.911   0.559  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.026   2.076   0.241  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.777  -2.770  -0.062  1.00  0.00           N  
HETATM   17  C   UNL     1      -3.073  -2.226  -0.606  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.024  -1.300  -0.869  1.00  0.00           C  
HETATM   19  C   UNL     1       2.380   2.301   0.797  1.00  0.00           C  
HETATM   20  O   UNL     1       3.384   2.970   0.943  1.00  0.00           O  
HETATM   21  N   UNL     1       2.405   0.926   0.842  1.00  0.00           N  
HETATM   22  C   UNL     1       3.738   0.349   0.558  1.00  0.00           C  
HETATM   23  C   UNL     1       3.669  -1.160   0.767  1.00  0.00           C  
HETATM   24  N   UNL     1       2.713  -1.710  -0.213  1.00  0.00           N  
HETATM   25  C   UNL     1       1.409  -1.954   0.280  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.757  -1.806  -0.305  1.00  0.00           C  
HETATM   27  O   UNL     1      -1.804  -2.828   2.643  1.00  0.00           O  
HETATM   28  C   UNL     1       3.087  -1.984  -1.603  1.00  0.00           C  
HETATM   29  C   UNL     1       4.542  -1.733  -2.005  1.00  0.00           C  
HETATM   30  C   UNL     1       3.441  -0.787  -2.488  1.00  0.00           C  
HETATM   31  H   UNL     1      -4.024   3.263  -0.808  1.00  0.00           H  
HETATM   32  H   UNL     1       0.794  -2.757  -1.542  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.431  -4.805   0.308  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.124  -4.283   0.480  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.009  -4.734   2.686  1.00  0.00           H  
HETATM   36  H   UNL     1       0.147  -3.429   2.330  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.387   4.471  -0.157  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.493   5.931   0.416  1.00  0.00           H  
HETATM   39  H   UNL     1       1.712   4.924   0.860  1.00  0.00           H  
HETATM   40  H   UNL     1       0.099   1.004   0.215  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.318  -3.277  -0.625  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.027  -1.604  -1.130  1.00  0.00           H  
HETATM   43  H   UNL     1       1.624   0.387   1.041  1.00  0.00           H  
HETATM   44  H   UNL     1       4.017   0.563  -0.474  1.00  0.00           H  
HETATM   45  H   UNL     1       4.475   0.779   1.236  1.00  0.00           H  
HETATM   46  H   UNL     1       4.654  -1.599   0.608  1.00  0.00           H  
HETATM   47  H   UNL     1       3.326  -1.377   1.778  1.00  0.00           H  
HETATM   48  H   UNL     1       1.131  -1.678   1.284  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.723  -2.641   3.588  1.00  0.00           H  
HETATM   50  H   UNL     1       2.573  -2.822  -2.072  1.00  0.00           H  
HETATM   51  H   UNL     1       5.220  -1.364  -1.236  1.00  0.00           H  
HETATM   52  H   UNL     1       4.985  -2.407  -2.739  1.00  0.00           H  
HETATM   53  H   UNL     1       3.159  -0.839  -3.540  1.00  0.00           H  
HETATM   54  H   UNL     1       3.395   0.204  -2.037  1.00  0.00           H  
CONECT    1    3    3    4    7                                       
CONECT    2    3   12   12   31                                       
CONECT    3    9    1    1    2                                       
CONECT    4    1   26   26                                            
CONECT    5   25   25   16   32                                       
CONECT    6   16    8   33   34                                       
CONECT    7    1   12   18                                            
CONECT    8    6   27   35   36                                       
CONECT    9   15   15   10    3                                       
CONECT   10   11   11    9   37                                       
CONECT   11   13   10   10   38                                       
CONECT   12    2    2    7                                            
CONECT   13   14   14   11   39                                       
CONECT   14   19   13   13   15                                       
CONECT   15   14    9    9   40                                       
CONECT   16    5   26    6                                            
CONECT   17   26   18   18   41                                       
CONECT   18    7   17   17   42                                       
CONECT   19   20   20   21   14                                       
CONECT   20   19   19                                                 
CONECT   21   19   22   43                                            
CONECT   22   21   23   44   45                                       
CONECT   23   22   24   46   47                                       
CONECT   24   23   28   25                                            
CONECT   25   24    5    5   48                                       
CONECT   26    4    4   16   17                                       
CONECT   27    8   49                                                 
CONECT   28   29   24   30   50                                       
CONECT   29   28   30   51   52                                       
CONECT   30   29   28   53   54                                       
CONECT   31    2                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   13                                                      
CONECT   40   15                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   23                                                      
CONECT   48   25                                                      
CONECT   49   27                                                      
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
