COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1       1.977  -1.756   1.119  1.00  0.00           C  
HETATM    2  C   UNL     1       1.999  -2.942   1.872  1.00  0.00           C  
HETATM    3  N   UNL     1       2.858  -3.033   2.884  1.00  0.00           N  
HETATM    4  C   UNL     1       3.666  -2.035   3.174  1.00  0.00           C  
HETATM    5  N   UNL     1       3.678  -0.905   2.493  1.00  0.00           N  
HETATM    6  C   UNL     1       2.856  -0.720   1.463  1.00  0.00           C  
HETATM    7  C   UNL     1       0.944  -1.950   0.095  1.00  0.00           C  
HETATM    8  C   UNL     1       0.441  -3.205   0.309  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.628  -3.841  -0.483  1.00  0.00           C  
HETATM   10  C   UNL     1       0.530  -0.989  -0.952  1.00  0.00           C  
HETATM   11  CA  UNL     1       3.794   1.537   1.125  1.00  0.00           C  
HETATM   12  C   UNL     1       4.069   2.406  -0.075  1.00  0.00           C  
HETATM   13  C   UNL     1       3.171   2.383   2.236  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.577  -3.815  -1.879  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.580  -4.411  -2.614  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.636  -5.034  -1.972  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.694  -5.063  -0.589  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.694  -4.476   0.159  1.00  0.00           C  
HETATM   19  C   UNL     1       1.414  -0.646  -1.977  1.00  0.00           C  
HETATM   20  C   UNL     1       1.026   0.250  -2.951  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.236   0.812  -2.918  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.123   0.478  -1.901  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.745  -0.427  -0.921  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.976   1.348  -0.690  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.272   2.043  -0.659  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.841   2.338   0.506  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.169   3.050   0.538  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.720   2.221   2.744  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.486   2.802   1.193  1.00  0.00           C  
HETATM   30  C   UNL     1       3.042   2.735  -0.940  1.00  0.00           C  
HETATM   31  C   UNL     1       3.294   3.532  -2.041  1.00  0.00           C  
HETATM   32  C   UNL     1       4.573   4.002  -2.276  1.00  0.00           C  
HETATM   33  C   UNL     1       5.599   3.675  -1.410  1.00  0.00           C  
HETATM   34  C   UNL     1       5.346   2.881  -0.307  1.00  0.00           C  
HETATM   35  N   UNL     1       2.868   0.465   0.749  1.00  0.00           N  
HETATM   36  N   UNL     1      -2.400   1.049  -1.871  1.00  0.00           N  
HETATM   37  N   UNL     1      -7.125   2.268   1.333  1.00  0.00           N  
HETATM   38  O   UNL     1       1.077  -3.772   1.354  1.00  0.00           O  
HETATM   39  O   UNL     1       2.009   3.046   1.735  1.00  0.00           O  
HETATM   40  O   UNL     1      -2.425   1.043   0.350  1.00  0.00           O  
HETATM   41  H   UNL     1       4.349  -2.147   4.003  1.00  0.00           H  
HETATM   42  HA  UNL     1       4.728   1.102   1.480  1.00  0.00           H  
HETATM   43  H1  UNL     1       2.891   1.739   3.070  1.00  0.00           H  
HETATM   44  H2  UNL     1       3.894   3.124   2.577  1.00  0.00           H  
HETATM   45  H   UNL     1       0.246  -3.329  -2.382  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.542  -4.392  -3.693  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.419  -5.500  -2.552  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.521  -5.551  -0.095  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.738  -4.504   1.237  1.00  0.00           H  
HETATM   50  H   UNL     1       2.401  -1.083  -2.006  1.00  0.00           H  
HETATM   51  H   UNL     1       1.712   0.514  -3.743  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.534   1.514  -3.683  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.433  -0.688  -0.130  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.761   2.314  -1.583  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.352   2.067   1.430  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.042   4.035   0.987  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.546   3.160  -0.479  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.678   3.234   3.145  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.445   1.636   3.311  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.737   1.757   2.825  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.787   2.762   0.146  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.174   2.205   1.792  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.508   3.836   1.538  1.00  0.00           H  
HETATM   64  H   UNL     1       2.043   2.367  -0.757  1.00  0.00           H  
HETATM   65  H   UNL     1       2.492   3.788  -2.717  1.00  0.00           H  
HETATM   66  H   UNL     1       4.770   4.625  -3.136  1.00  0.00           H  
HETATM   67  H   UNL     1       6.598   4.042  -1.593  1.00  0.00           H  
HETATM   68  H   UNL     1       6.148   2.628   0.372  1.00  0.00           H  
HETATM   69  H   UNL     1       2.264   0.587   0.000  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.870   1.230  -2.700  1.00  0.00           H  
HETATM   71  H   UNL     1       1.561   3.602   2.388  1.00  0.00           H  
CONECT    1    7    6    6    2                                       
CONECT    2    1   38    3    3                                       
CONECT    3    2    2    4                                            
CONECT    4    5    5    3   41                                       
CONECT    5    6    4    4                                            
CONECT    6   35    1    1    5                                       
CONECT    7   10    1    8    8                                       
CONECT    8    7    7    9   38                                       
CONECT    9   14    8   18   18                                       
CONECT   10   23   23   19    7                                       
CONECT   11   13   35   12   42                                       
CONECT   12   11   30   30   34                                       
CONECT   13   39   11   43   44                                       
CONECT   14   15   15    9   45                                       
CONECT   15   14   14   16   46                                       
CONECT   16   15   17   17   47                                       
CONECT   17   16   16   18   48                                       
CONECT   18    9    9   17   49                                       
CONECT   19   20   20   10   50                                       
CONECT   20   21   19   19   51                                       
CONECT   21   22   22   20   52                                       
CONECT   22   36   21   21   23                                       
CONECT   23   22   10   10   53                                       
CONECT   24   25   40   40   36                                       
CONECT   25   26   26   24   54                                       
CONECT   26   27   25   25   55                                       
CONECT   27   37   26   56   57                                       
CONECT   28   37   58   59   60                                       
CONECT   29   37   61   62   63                                       
CONECT   30   12   12   31   64                                       
CONECT   31   30   32   32   65                                       
CONECT   32   31   31   33   66                                       
CONECT   33   34   34   32   67                                       
CONECT   34   12   33   33   68                                       
CONECT   35   11    6   69                                            
CONECT   36   24   22   70                                            
CONECT   37   27   29   28                                            
CONECT   38    8    2                                                 
CONECT   39   13   71                                                 
CONECT   40   24   24                                                 
CONECT   41    4                                                      
CONECT   42   11                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   14                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   23                                                      
CONECT   54   25                                                      
CONECT   55   26                                                      
CONECT   56   27                                                      
CONECT   57   27                                                      
CONECT   58   28                                                      
CONECT   59   28                                                      
CONECT   60   28                                                      
CONECT   61   29                                                      
CONECT   62   29                                                      
CONECT   63   29                                                      
CONECT   64   30                                                      
CONECT   65   31                                                      
CONECT   66   32                                                      
CONECT   67   33                                                      
CONECT   68   34                                                      
CONECT   69   35                                                      
CONECT   70   36                                                      
CONECT   71   39                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
