COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.600  -2.473   1.036  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.974  -0.369   0.335  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.311  -0.051   0.123  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.274  -1.029   0.393  1.00  0.00           C  
HETATM    5  C   UNL     1       5.285   2.094   0.197  1.00  0.00           C  
HETATM    6  C   UNL     1       6.561   1.464   0.757  1.00  0.00           C  
HETATM    7  C   UNL     1       6.828   0.148   0.073  1.00  0.00           C  
HETATM    8  C   UNL     1       8.096  -0.403   0.174  1.00  0.00           C  
HETATM    9  C   UNL     1       8.383  -1.609  -0.436  1.00  0.00           C  
HETATM   10  C   UNL     1       7.400  -2.269  -1.149  1.00  0.00           C  
HETATM   11  C   UNL     1       6.137  -1.720  -1.250  1.00  0.00           C  
HETATM   12  C   UNL     1       5.849  -0.509  -0.640  1.00  0.00           C  
HETATM   13  C   UNL     1       4.459   0.054  -0.787  1.00  0.00           C  
HETATM   14  N   UNL     1       4.214   1.085   0.227  1.00  0.00           N  
HETATM   15  C   UNL     1       2.898   1.709   0.035  1.00  0.00           C  
HETATM   16  C   UNL     1       1.800   0.681   0.318  1.00  0.00           C  
HETATM   17  O   UNL     1       1.844   0.306   1.696  1.00  0.00           O  
HETATM   18  C   UNL     1       0.434   1.293  -0.001  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.617   0.309   0.270  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.909   0.628   0.060  1.00  0.00           C  
HETATM   21  O   UNL     1      -2.203   1.731  -0.354  1.00  0.00           O  
HETATM   22  N   UNL     1      -2.663  -1.584   0.790  1.00  0.00           N  
HETATM   23  N   UNL     1      -4.878  -2.214   0.844  1.00  0.00           N  
HETATM   24  N   UNL     1      -6.619  -0.763   0.199  1.00  0.00           N  
HETATM   25  C   UNL     1      -7.043   0.550  -0.293  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.484   0.926   0.100  1.00  0.00           C  
HETATM   27  O   UNL     1      -8.863   0.325  -1.155  1.00  0.00           O  
HETATM   28  C   UNL     1      -7.563   0.533  -1.743  1.00  0.00           C  
HETATM   29  H   UNL     1      -3.313  -3.448   1.403  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.597   0.923  -0.245  1.00  0.00           H  
HETATM   31  H   UNL     1       4.999   2.950   0.809  1.00  0.00           H  
HETATM   32  H   UNL     1       5.456   2.416  -0.830  1.00  0.00           H  
HETATM   33  H   UNL     1       7.401   2.138   0.589  1.00  0.00           H  
HETATM   34  H   UNL     1       6.442   1.298   1.828  1.00  0.00           H  
HETATM   35  H   UNL     1       8.864   0.113   0.731  1.00  0.00           H  
HETATM   36  H   UNL     1       9.372  -2.034  -0.356  1.00  0.00           H  
HETATM   37  H   UNL     1       7.620  -3.213  -1.626  1.00  0.00           H  
HETATM   38  H   UNL     1       5.370  -2.238  -1.807  1.00  0.00           H  
HETATM   39  H   UNL     1       4.351   0.492  -1.779  1.00  0.00           H  
HETATM   40  H   UNL     1       3.731  -0.747  -0.664  1.00  0.00           H  
HETATM   41  H   UNL     1       2.792   2.551   0.719  1.00  0.00           H  
HETATM   42  H   UNL     1       2.809   2.062  -0.992  1.00  0.00           H  
HETATM   43  H   UNL     1       1.958  -0.200  -0.304  1.00  0.00           H  
HETATM   44  H   UNL     1       1.710   1.042   2.309  1.00  0.00           H  
HETATM   45  H   UNL     1       0.276   2.174   0.621  1.00  0.00           H  
HETATM   46  H   UNL     1       0.401   1.579  -1.052  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.382  -0.573   0.601  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.281  -1.447   0.389  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.314   1.335  -0.094  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.857   0.392   0.974  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.663   2.000   0.148  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.460   1.487  -2.260  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.204  -0.313  -2.330  1.00  0.00           H  
CONECT    1   23   23   22   29                                       
CONECT    2    3   20   22   22                                       
CONECT    3    4    4    2   30                                       
CONECT    4    3    3   24   23                                       
CONECT    5    6   14   31   32                                       
CONECT    6    5    7   33   34                                       
CONECT    7    6    8    8   12                                       
CONECT    8    7    7    9   35                                       
CONECT    9    8   10   10   36                                       
CONECT   10    9    9   11   37                                       
CONECT   11   12   12   10   38                                       
CONECT   12    7   13   11   11                                       
CONECT   13   14   12   39   40                                       
CONECT   14    5   15   13                                            
CONECT   15   16   14   41   42                                       
CONECT   16   18   17   15   43                                       
CONECT   17   16   44                                                 
CONECT   18   19   16   45   46                                       
CONECT   19   20   18   47                                            
CONECT   20   21   21    2   19                                       
CONECT   21   20   20                                                 
CONECT   22    2    2    1                                            
CONECT   23    4    1    1                                            
CONECT   24    4   25   48                                            
CONECT   25   28   24   26   49                                       
CONECT   26   25   27   50   51                                       
CONECT   27   28   26                                                 
CONECT   28   25   27   52   53                                       
CONECT   29    1                                                      
CONECT   30    3                                                      
CONECT   31    5                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
CONECT   51   26                                                      
CONECT   52   28                                                      
CONECT   53   28                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
