COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.422   0.001   0.900  1.00  0.00           N  
HETATM    2  C   UNL     1       6.227   1.376   0.129  1.00  0.00           C  
HETATM    3  N   UNL     1       0.070  -0.580   2.698  1.00  0.00           N  
HETATM    4  C   UNL     1       5.148   1.192  -0.717  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.166  -0.984   1.129  1.00  0.00           C  
HETATM    6  C   UNL     1       0.202  -0.388   1.417  1.00  0.00           C  
HETATM    7  C   UNL     1       2.475   0.181   1.720  1.00  0.00           C  
HETATM    8  C   UNL     1       3.781   0.597   1.167  1.00  0.00           C  
HETATM    9  C   UNL     1       3.926   0.804  -0.206  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.168  -1.115   0.010  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.660   2.165  -0.022  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.999   2.057   0.324  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.877   3.084   0.014  1.00  0.00           C  
HETATM   14  C   UNL     1      -9.037   4.077   0.002  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.415   4.217  -0.641  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.081   4.322  -0.985  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.012  -1.355  -2.047  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.323  -2.327  -0.647  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.733  -3.905  -1.396  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.797  -5.015  -0.913  1.00  0.00           C  
HETATM   21  C   UNL     1       4.874   0.785   2.014  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.506  -5.632   0.797  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.629  -6.165  -0.339  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.203   3.300  -0.677  1.00  0.00           C  
HETATM   25  O   UNL     1      10.691   1.040  -0.842  1.00  0.00           O  
HETATM   26  C   UNL     1       9.660   0.995  -1.470  1.00  0.00           C  
HETATM   27  OXT UNL     1       9.652   1.326  -2.771  1.00  0.00           O  
HETATM   28  CA  UNL     1       8.383   0.568  -0.794  1.00  0.00           C  
HETATM   29  N   UNL     1       8.703  -0.179   0.430  1.00  0.00           N  
HETATM   30  C   UNL     1       7.557   1.806  -0.435  1.00  0.00           C  
HETATM   31  C   UNL     1       6.090   1.173   1.490  1.00  0.00           C  
HETATM   32  O   UNL     1       2.352   0.002   2.916  1.00  0.00           O  
HETATM   33  N   UNL     1      -0.872  -0.572   0.580  1.00  0.00           N  
HETATM   34  N   UNL     1      -2.550  -3.429  -0.272  1.00  0.00           N  
HETATM   35  C   UNL     1      -3.393  -4.505   0.265  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.248  -2.444  -1.677  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.863  -0.148  -1.390  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.941  -0.025  -0.361  1.00  0.00           C  
HETATM   39  O   UNL     1      -3.796   1.162   0.284  1.00  0.00           O  
HETATM   40  O   UNL     1      -8.189   2.981   0.352  1.00  0.00           O  
HETATM   41  H   UNL     1       1.521   0.140  -0.055  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.787  -0.853   3.062  1.00  0.00           H  
HETATM   43  H   UNL     1       5.261   1.352  -1.779  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.513  -0.237   1.842  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.058  -1.945   1.633  1.00  0.00           H  
HETATM   46  H   UNL     1       3.084   0.660  -0.867  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.356   1.174   0.833  1.00  0.00           H  
HETATM   48  H   UNL     1     -10.056   3.867   0.327  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.679   4.983   0.490  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.023   4.217  -1.079  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.099   5.017  -0.882  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.724   5.204  -1.495  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.731  -1.447  -2.848  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.143  -3.079  -1.792  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.384  -4.295  -2.179  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.201  -5.379  -1.750  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.136  -4.622  -0.140  1.00  0.00           H  
HETATM   58  H   UNL     1       4.768   0.627   3.077  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.133  -6.438   1.182  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.873  -5.250   1.598  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.261  -6.583  -1.122  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.965  -6.939   0.046  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.161   3.384  -0.947  1.00  0.00           H  
HETATM   64  HXT UNL     1      10.496   1.594  -3.161  1.00  0.00           H  
HETATM   65  HA  UNL     1       7.809  -0.068  -1.469  1.00  0.00           H  
HETATM   66  H1  UNL     1       9.192  -1.034   0.213  1.00  0.00           H  
HETATM   67  H2  UNL     1       9.234   0.390   1.072  1.00  0.00           H  
HETATM   68  H   UNL     1       7.395   2.406  -1.330  1.00  0.00           H  
HETATM   69  H   UNL     1       8.093   2.397   0.307  1.00  0.00           H  
HETATM   70  H   UNL     1       6.937   1.319   2.145  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.774  -0.429  -0.375  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.036  -4.891  -0.526  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.009  -4.114   1.075  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.369  -3.387  -2.189  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.465   0.701  -1.679  1.00  0.00           H  
CONECT    1    6    7   41                                            
CONECT    2    4   30   31   31                                       
CONECT    3    6    6   42                                            
CONECT    4    9    9    2   43                                       
CONECT    5   33   10   44   45                                       
CONECT    6    3    3    1   33                                       
CONECT    7    8    1   32   32                                       
CONECT    8    9   21   21    7                                       
CONECT    9    4    4    8   46                                       
CONECT   10    5   18   18   38                                       
CONECT   11   39   24   24   12                                       
CONECT   12   11   13   13   47                                       
CONECT   13   12   12   15   40                                       
CONECT   14   40   48   49   50                                       
CONECT   15   16   16   13   51                                       
CONECT   16   24   15   15   52                                       
CONECT   17   36   36   37   53                                       
CONECT   18   34   10   10   36                                       
CONECT   19   20   34   54   55                                       
CONECT   20   23   19   56   57                                       
CONECT   21   31    8    8   58                                       
CONECT   22   23   35   59   60                                       
CONECT   23   22   20   61   62                                       
CONECT   24   11   11   16   63                                       
CONECT   25   26   26                                                 
CONECT   26   25   25   27   28                                       
CONECT   27   26   64                                                 
CONECT   28   26   29   30   65                                       
CONECT   29   28   66   67                                            
CONECT   30   28    2   68   69                                       
CONECT   31    2    2   21   70                                       
CONECT   32    7    7                                                 
CONECT   33    6    5   71                                            
CONECT   34   35   19   18                                            
CONECT   35   22   34   72   73                                       
CONECT   36   18   17   17   74                                       
CONECT   37   38   38   17   75                                       
CONECT   38   10   39   37   37                                       
CONECT   39   38   11                                                 
CONECT   40   13   14                                                 
CONECT   41    1                                                      
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    9                                                      
CONECT   47   12                                                      
CONECT   48   14                                                      
CONECT   49   14                                                      
CONECT   50   14                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   19                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   27                                                      
CONECT   65   28                                                      
CONECT   66   29                                                      
CONECT   67   29                                                      
CONECT   68   30                                                      
CONECT   69   30                                                      
CONECT   70   31                                                      
CONECT   71   33                                                      
CONECT   72   35                                                      
CONECT   73   35                                                      
CONECT   74   36                                                      
CONECT   75   37                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
