COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.321  -3.759   0.541  1.00  0.00           N  
HETATM    2  C   UNL     1       3.031  -3.984   0.412  1.00  0.00           C  
HETATM    3  N   UNL     1       2.159  -3.023   0.172  1.00  0.00           N  
HETATM    4  C   UNL     1       2.554  -1.758   0.047  1.00  0.00           C  
HETATM    5  C   UNL     1       3.920  -1.473   0.177  1.00  0.00           C  
HETATM    6  C   UNL     1       4.812  -2.527   0.432  1.00  0.00           C  
HETATM    7  C   UNL     1       3.931   3.372   0.636  1.00  0.00           C  
HETATM    8  C   UNL     1       4.366   2.085   0.873  1.00  0.00           C  
HETATM    9  C   UNL     1       4.277   1.125  -0.135  1.00  0.00           C  
HETATM   10  C   UNL     1       3.747   1.474  -1.378  1.00  0.00           C  
HETATM   11  C   UNL     1       3.315   2.765  -1.602  1.00  0.00           C  
HETATM   12  C   UNL     1       3.407   3.713  -0.598  1.00  0.00           C  
HETATM   13  C   UNL     1       4.742  -0.258   0.112  1.00  0.00           C  
HETATM   14  C   UNL     1       6.029  -0.671   0.329  1.00  0.00           C  
HETATM   15  O   UNL     1       6.049  -2.006   0.514  1.00  0.00           O  
HETATM   16  C   UNL     1       7.212   0.209   0.354  1.00  0.00           C  
HETATM   17  C   UNL     1       8.151   0.094   1.382  1.00  0.00           C  
HETATM   18  C   UNL     1       9.255   0.920   1.400  1.00  0.00           C  
HETATM   19  C   UNL     1       9.434   1.863   0.402  1.00  0.00           C  
HETATM   20  C   UNL     1       8.508   1.983  -0.619  1.00  0.00           C  
HETATM   21  C   UNL     1       7.402   1.159  -0.653  1.00  0.00           C  
HETATM   22  C   UNL     1       0.216  -1.070  -0.339  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.570   0.213  -0.613  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.035  -0.116  -0.750  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.852  -0.104   0.365  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.194  -0.404   0.243  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.723  -0.718  -1.002  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.901  -0.729  -2.120  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.560  -0.423  -1.992  1.00  0.00           C  
HETATM   30  N   UNL     1      -6.083  -1.023  -1.129  1.00  0.00           N  
HETATM   31  C   UNL     1      -6.991  -0.386  -0.364  1.00  0.00           C  
HETATM   32  N   UNL     1      -8.307  -0.609  -0.553  1.00  0.00           N  
HETATM   33  C   UNL     1      -9.252   0.131   0.166  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.988   1.450   0.510  1.00  0.00           C  
HETATM   35  C   UNL     1      -9.924   2.178   1.219  1.00  0.00           C  
HETATM   36  C   UNL     1     -11.122   1.595   1.586  1.00  0.00           C  
HETATM   37  C   UNL     1     -11.388   0.281   1.246  1.00  0.00           C  
HETATM   38  C   UNL     1     -10.459  -0.451   0.532  1.00  0.00           C  
HETATM   39  O   UNL     1      -6.624   0.391   0.496  1.00  0.00           O  
HETATM   40  N   UNL     1       1.640  -0.751  -0.206  1.00  0.00           N  
HETATM   41  H   UNL     1       2.670  -4.998   0.507  1.00  0.00           H  
HETATM   42  H   UNL     1       3.996   4.115   1.418  1.00  0.00           H  
HETATM   43  H   UNL     1       4.775   1.821   1.837  1.00  0.00           H  
HETATM   44  H   UNL     1       3.675   0.735  -2.162  1.00  0.00           H  
HETATM   45  H   UNL     1       2.905   3.036  -2.563  1.00  0.00           H  
HETATM   46  H   UNL     1       3.067   4.722  -0.779  1.00  0.00           H  
HETATM   47  H   UNL     1       8.013  -0.641   2.162  1.00  0.00           H  
HETATM   48  H   UNL     1       9.982   0.832   2.194  1.00  0.00           H  
HETATM   49  H   UNL     1      10.300   2.507   0.421  1.00  0.00           H  
HETATM   50  H   UNL     1       8.654   2.721  -1.394  1.00  0.00           H  
HETATM   51  H   UNL     1       6.683   1.251  -1.453  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.142  -1.526   0.585  1.00  0.00           H  
HETATM   53  H   UNL     1       0.076  -1.767  -1.166  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.430   0.909   0.213  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.212   0.668  -1.537  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.440   0.141   1.333  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.832  -0.395   1.115  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.309  -0.973  -3.090  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.920  -0.427  -2.862  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.372  -1.694  -1.768  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.599  -1.283  -1.186  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.052   1.906   0.223  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.719   3.204   1.486  1.00  0.00           H  
HETATM   64  H   UNL     1     -11.852   2.166   2.141  1.00  0.00           H  
HETATM   65  H   UNL     1     -12.325  -0.172   1.535  1.00  0.00           H  
HETATM   66  H   UNL     1     -10.670  -1.475   0.263  1.00  0.00           H  
HETATM   67  H   UNL     1       1.942   0.166  -0.294  1.00  0.00           H  
CONECT    1    2    2    6                                            
CONECT    2    1    1    3   41                                       
CONECT    3    2    4    4                                            
CONECT    4    3    3    5   40                                       
CONECT    5    4    6    6   13                                       
CONECT    6    1    5    5   15                                       
CONECT    7    8    8   12   42                                       
CONECT    8    7    7    9   43                                       
CONECT    9    8   10   10   13                                       
CONECT   10    9    9   11   44                                       
CONECT   11   10   12   12   45                                       
CONECT   12    7   11   11   46                                       
CONECT   13    5    9   14   14                                       
CONECT   14   13   13   15   16                                       
CONECT   15    6   14                                                 
CONECT   16   14   17   17   21                                       
CONECT   17   16   16   18   47                                       
CONECT   18   17   19   19   48                                       
CONECT   19   18   18   20   49                                       
CONECT   20   19   21   21   50                                       
CONECT   21   16   20   20   51                                       
CONECT   22   23   40   52   53                                       
CONECT   23   22   24   54   55                                       
CONECT   24   23   25   25   29                                       
CONECT   25   24   24   26   56                                       
CONECT   26   25   27   27   57                                       
CONECT   27   26   26   28   30                                       
CONECT   28   27   29   29   58                                       
CONECT   29   24   28   28   59                                       
CONECT   30   27   31   60                                            
CONECT   31   30   32   39   39                                       
CONECT   32   31   33   61                                            
CONECT   33   32   34   34   38                                       
CONECT   34   33   33   35   62                                       
CONECT   35   34   36   36   63                                       
CONECT   36   35   35   37   64                                       
CONECT   37   36   38   38   65                                       
CONECT   38   33   37   37   66                                       
CONECT   39   31   31                                                 
CONECT   40    4   22   67                                            
CONECT   41    2                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   22                                                      
CONECT   53   22                                                      
CONECT   54   23                                                      
CONECT   55   23                                                      
CONECT   56   25                                                      
CONECT   57   26                                                      
CONECT   58   28                                                      
CONECT   59   29                                                      
CONECT   60   30                                                      
CONECT   61   32                                                      
CONECT   62   34                                                      
CONECT   63   35                                                      
CONECT   64   36                                                      
CONECT   65   37                                                      
CONECT   66   38                                                      
CONECT   67   40                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
