COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.441   0.647  -0.224  1.00  0.00           C  
HETATM    2  C   UNL     1       1.131   1.313  -0.093  1.00  0.00           C  
HETATM    3  C   UNL     1       1.049   2.708  -0.101  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.177   3.332   0.015  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.330   2.585   0.141  1.00  0.00           C  
HETATM    6  N   UNL     1      -3.647   0.986   0.393  1.00  0.00           N  
HETATM    7  O   UNL     1      -6.070   2.058   0.625  1.00  0.00           O  
HETATM    8  C   UNL     1      -6.011   0.846   0.634  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.272   0.032   0.771  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.706  -0.471  -0.608  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.894  -1.385  -0.457  1.00  0.00           C  
HETATM   12  C   UNL     1     -10.300  -0.982  -0.382  1.00  0.00           C  
HETATM   13  C   UNL     1     -10.960   0.248  -0.419  1.00  0.00           C  
HETATM   14  C   UNL     1     -12.322   0.291  -0.322  1.00  0.00           C  
HETATM   15  C   UNL     1     -13.056  -0.880  -0.188  1.00  0.00           C  
HETATM   16  C   UNL     1     -12.426  -2.104  -0.149  1.00  0.00           C  
HETATM   17  C   UNL     1     -11.040  -2.171  -0.246  1.00  0.00           C  
HETATM   18  N   UNL     1     -10.138  -3.211  -0.240  1.00  0.00           N  
HETATM   19  C   UNL     1      -8.866  -2.725  -0.372  1.00  0.00           C  
HETATM   20  N   UNL     1      -8.335   0.868   1.344  1.00  0.00           N  
HETATM   21  N   UNL     1      -4.819   0.228   0.521  1.00  0.00           N  
HETATM   22  C   UNL     1      -2.499   0.391   0.285  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.265   1.188   0.151  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.031   0.551   0.033  1.00  0.00           C  
HETATM   25  H   UNL     1       2.501  -0.431  -0.222  1.00  0.00           H  
HETATM   26  H   UNL     1       1.948   3.299  -0.199  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.233   4.411   0.008  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.286   3.080   0.232  1.00  0.00           H  
HETATM   29  H   UNL     1      -7.085  -0.819   1.426  1.00  0.00           H  
HETATM   30  H   UNL     1      -7.978   0.378  -1.235  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.884  -1.017  -1.071  1.00  0.00           H  
HETATM   32  H   UNL     1     -10.396   1.163  -0.524  1.00  0.00           H  
HETATM   33  H   UNL     1     -12.832   1.242  -0.351  1.00  0.00           H  
HETATM   34  H   UNL     1     -14.133  -0.831  -0.112  1.00  0.00           H  
HETATM   35  H   UNL     1     -13.006  -3.009  -0.044  1.00  0.00           H  
HETATM   36  H   UNL     1     -10.370  -4.149  -0.158  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.971  -3.329  -0.401  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.526   1.664   0.755  1.00  0.00           H  
HETATM   39  H   UNL     1      -9.172   0.328   1.506  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.772  -0.740   0.527  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.446  -0.688   0.292  1.00  0.00           H  
HETATM   42  H   UNL     1       0.026  -0.528   0.036  1.00  0.00           H  
HETATM   43  N   UNL     1       3.520   1.358  -0.346  1.00  0.00           N  
HETATM   44  N   UNL     1       4.763   0.726  -0.476  1.00  0.00           N  
HETATM   45  C   UNL     1       5.884   1.464  -0.604  1.00  0.00           C  
HETATM   46  C   UNL     1       7.222   0.784  -0.743  1.00  0.00           C  
HETATM   47  O   UNL     1       5.816   2.675  -0.606  1.00  0.00           O  
HETATM   48  N   UNL     1       8.188   1.721  -1.332  1.00  0.00           N  
HETATM   49  C   UNL     1       7.715   0.342   0.636  1.00  0.00           C  
HETATM   50  C   UNL     1       8.992  -0.445   0.484  1.00  0.00           C  
HETATM   51  N   UNL     1      10.253   0.076   0.592  1.00  0.00           N  
HETATM   52  C   UNL     1       9.060  -1.761   0.228  1.00  0.00           C  
HETATM   53  C   UNL     1      10.481  -2.111   0.161  1.00  0.00           C  
HETATM   54  C   UNL     1      11.187  -0.917   0.398  1.00  0.00           C  
HETATM   55  C   UNL     1      12.578  -0.937   0.399  1.00  0.00           C  
HETATM   56  C   UNL     1      11.178  -3.298  -0.069  1.00  0.00           C  
HETATM   57  C   UNL     1      12.545  -3.294  -0.067  1.00  0.00           C  
HETATM   58  C   UNL     1      13.246  -2.119   0.167  1.00  0.00           C  
HETATM   59  H   UNL     1       4.818  -0.243  -0.475  1.00  0.00           H  
HETATM   60  H   UNL     1       7.121  -0.087  -1.390  1.00  0.00           H  
HETATM   61  H   UNL     1       8.299   2.538  -0.751  1.00  0.00           H  
HETATM   62  H   UNL     1       9.075   1.270  -1.496  1.00  0.00           H  
HETATM   63  H   UNL     1       7.901   1.220   1.254  1.00  0.00           H  
HETATM   64  H   UNL     1       6.958  -0.282   1.110  1.00  0.00           H  
HETATM   65  H   UNL     1      10.458   1.005   0.777  1.00  0.00           H  
HETATM   66  H   UNL     1       8.226  -2.434   0.096  1.00  0.00           H  
HETATM   67  H   UNL     1      13.132  -0.028   0.581  1.00  0.00           H  
HETATM   68  H   UNL     1      10.639  -4.217  -0.248  1.00  0.00           H  
HETATM   69  H   UNL     1      13.083  -4.213  -0.244  1.00  0.00           H  
HETATM   70  H   UNL     1      14.325  -2.133   0.168  1.00  0.00           H  
CONECT    1    2   25   43   43                                       
CONECT    2    3    3   24    1                                       
CONECT    3    4    2    2   26                                       
CONECT    4    5    5    3   27                                       
CONECT    5    4    4   23   28                                       
CONECT    6   22   22   21                                            
CONECT    7    8    8                                                 
CONECT    8   21    9    7    7                                       
CONECT    9    8   20   10   29                                       
CONECT   10    9   11   30   31                                       
CONECT   11   12   10   19   19                                       
CONECT   12   13   11   17   17                                       
CONECT   13   14   14   12   32                                       
CONECT   14   13   13   15   33                                       
CONECT   15   14   16   16   34                                       
CONECT   16   15   15   17   35                                       
CONECT   17   12   12   16   18                                       
CONECT   18   17   19   36                                            
CONECT   19   11   11   18   37                                       
CONECT   20    9   38   39                                            
CONECT   21    6    8   40                                            
CONECT   22   23    6    6   41                                       
CONECT   23    5   22   24   24                                       
CONECT   24   23   23    2   42                                       
CONECT   25    1                                                      
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    5                                                      
CONECT   29    9                                                      
CONECT   30   10                                                      
CONECT   31   10                                                      
CONECT   32   13                                                      
CONECT   33   14                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   18                                                      
CONECT   37   19                                                      
CONECT   38   20                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
CONECT   41   22                                                      
CONECT   42   24                                                      
CONECT   43    1    1   44                                            
CONECT   44   43   45   59                                            
CONECT   45   44   46   47   47                                       
CONECT   46   45   48   49   60                                       
CONECT   47   45   45                                                 
CONECT   48   46   61   62                                            
CONECT   49   46   50   63   64                                       
CONECT   50   49   51   52   52                                       
CONECT   51   50   54   65                                            
CONECT   52   50   50   53   66                                       
CONECT   53   52   54   56   56                                       
CONECT   54   51   53   55   55                                       
CONECT   55   54   54   58   67                                       
CONECT   56   53   53   57   68                                       
CONECT   57   56   58   58   69                                       
CONECT   58   55   57   57   70                                       
CONECT   59   44                                                      
CONECT   60   46                                                      
CONECT   61   48                                                      
CONECT   62   48                                                      
CONECT   63   49                                                      
CONECT   64   49                                                      
CONECT   65   51                                                      
CONECT   66   52                                                      
CONECT   67   55                                                      
CONECT   68   56                                                      
CONECT   69   57                                                      
CONECT   70   58                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
