COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.582  -2.749  -0.112  1.00  0.00           C  
HETATM    2  C   UNL     1       0.830  -2.703   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.463  -1.436  -0.013  1.00  0.00           C  
HETATM    4  N   UNL     1       0.706  -0.355  -0.129  1.00  0.00           N  
HETATM    5  N   UNL     1      -1.260  -1.597  -0.220  1.00  0.00           N  
HETATM    6  C   UNL     1      -8.024   1.871   1.764  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.158   1.842   0.531  1.00  0.00           C  
HETATM    8  O   UNL     1      -7.666   1.772  -0.562  1.00  0.00           O  
HETATM    9  C   UNL     1      -5.658   1.902   0.662  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.022   1.857  -0.729  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.522   1.917  -0.598  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.794   0.750  -0.480  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.877   3.140  -0.601  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.499   3.202  -0.487  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.761   2.043  -0.369  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.406   0.807  -0.359  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.619  -0.443  -0.232  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.232  -3.988  -0.102  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.487  -5.144   0.018  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.129  -6.381   0.029  1.00  0.00           N  
HETATM   21  C   UNL     1       0.907  -5.087   0.127  1.00  0.00           C  
HETATM   22  C   UNL     1       1.559  -3.892   0.120  1.00  0.00           C  
HETATM   23  N   UNL     1       2.834  -1.330   0.093  1.00  0.00           N  
HETATM   24  C   UNL     1       3.470  -0.011   0.078  1.00  0.00           C  
HETATM   25  C   UNL     1       4.986  -0.174   0.210  1.00  0.00           C  
HETATM   26  C   UNL     1       5.640   1.184   0.194  1.00  0.00           C  
HETATM   27  C   UNL     1       5.844   1.867   1.379  1.00  0.00           C  
HETATM   28  C   UNL     1       6.443   3.112   1.364  1.00  0.00           C  
HETATM   29  C   UNL     1       6.840   3.674   0.165  1.00  0.00           C  
HETATM   30  C   UNL     1       6.637   2.991  -1.019  1.00  0.00           C  
HETATM   31  C   UNL     1       6.043   1.743  -1.004  1.00  0.00           C  
HETATM   32  H   UNL     1      -8.196   0.852   2.111  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.523   2.442   2.546  1.00  0.00           H  
HETATM   34  H   UNL     1      -8.978   2.341   1.526  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.373   2.828   1.162  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.310   1.051   1.248  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.306   0.932  -1.229  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.369   2.708  -1.315  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.298  -0.205  -0.482  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.450   4.051  -0.694  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.000   4.160  -0.495  1.00  0.00           H  
HETATM   42  H   UNL     1       0.314   2.092  -0.279  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.308  -4.040  -0.186  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.095  -6.426  -0.047  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.611  -7.196   0.113  1.00  0.00           H  
HETATM   46  H   UNL     1       1.473  -6.003   0.220  1.00  0.00           H  
HETATM   47  H   UNL     1       2.635  -3.862   0.206  1.00  0.00           H  
HETATM   48  H   UNL     1       3.377  -2.130   0.178  1.00  0.00           H  
HETATM   49  H   UNL     1       3.239   0.493  -0.860  1.00  0.00           H  
HETATM   50  H   UNL     1       3.095   0.583   0.911  1.00  0.00           H  
HETATM   51  H   UNL     1       5.217  -0.678   1.148  1.00  0.00           H  
HETATM   52  H   UNL     1       5.361  -0.768  -0.623  1.00  0.00           H  
HETATM   53  H   UNL     1       5.533   1.428   2.315  1.00  0.00           H  
HETATM   54  H   UNL     1       6.602   3.646   2.289  1.00  0.00           H  
HETATM   55  H   UNL     1       7.308   4.647   0.154  1.00  0.00           H  
HETATM   56  H   UNL     1       6.947   3.430  -1.956  1.00  0.00           H  
HETATM   57  H   UNL     1       5.884   1.209  -1.929  1.00  0.00           H  
CONECT    1    2    2    5   18                                       
CONECT    2    3   22    1    1                                       
CONECT    3   23    4    4    2                                       
CONECT    4    3    3   17                                            
CONECT    5   17   17    1                                            
CONECT    6    7   32   33   34                                       
CONECT    7    9    8    8    6                                       
CONECT    8    7    7                                                 
CONECT    9   10    7   35   36                                       
CONECT   10   11    9   37   38                                       
CONECT   11   13   13   12   10                                       
CONECT   12   16   16   11   39                                       
CONECT   13   14   11   11   40                                       
CONECT   14   15   15   13   41                                       
CONECT   15   14   14   16   42                                       
CONECT   16   15   17   12   12                                       
CONECT   17    4   16    5    5                                       
CONECT   18    1   19   19   43                                       
CONECT   19   21   18   18   20                                       
CONECT   20   19   44   45                                            
CONECT   21   22   22   19   46                                       
CONECT   22    2   21   21   47                                       
CONECT   23   24    3   48                                            
CONECT   24   25   23   49   50                                       
CONECT   25   26   24   51   52                                       
CONECT   26   27   27   31   25                                       
CONECT   27   28   26   26   53                                       
CONECT   28   29   29   27   54                                       
CONECT   29   28   28   30   55                                       
CONECT   30   29   31   31   56                                       
CONECT   31   30   30   26   57                                       
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   18                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   25                                                      
CONECT   53   27                                                      
CONECT   54   28                                                      
CONECT   55   29                                                      
CONECT   56   30                                                      
CONECT   57   31                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
