COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -1.036  -3.941   0.303  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.136  -2.758   0.551  1.00  0.00           C  
HETATM    3  C   UNL     1       0.113  -1.924   0.708  1.00  0.00           C  
HETATM    4  N   UNL     1      -2.352  -2.209   0.677  1.00  0.00           N  
HETATM    5  C   UNL     1      -3.535  -3.024   0.325  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.206  -2.369  -0.881  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.355  -0.884  -0.682  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.286  -0.217  -1.467  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.465   1.150  -1.341  1.00  0.00           C  
HETATM   10  O   UNL     1      -6.380   1.791  -2.114  1.00  0.00           O  
HETATM   11  C   UNL     1      -6.512   3.202  -1.929  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.709   1.863  -0.423  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.784   1.199   0.363  1.00  0.00           C  
HETATM   14  O   UNL     1      -3.041   1.893   1.264  1.00  0.00           O  
HETATM   15  C   UNL     1      -3.268   3.302   1.344  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.610  -0.177   0.237  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.608  -0.854   1.133  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.362  -0.003   1.301  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.887  -0.075   2.758  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.529  -1.524   3.096  1.00  0.00           C  
HETATM   21  C   UNL     1       0.592  -2.010   2.161  1.00  0.00           C  
HETATM   22  N   UNL     1      -0.284  -0.524   0.440  1.00  0.00           N  
HETATM   23  C   UNL     1       0.301   0.223  -0.517  1.00  0.00           C  
HETATM   24  O   UNL     1      -0.118   1.336  -0.759  1.00  0.00           O  
HETATM   25  C   UNL     1       1.463  -0.319  -1.281  1.00  0.00           C  
HETATM   26  O   UNL     1       1.276  -1.017  -2.257  1.00  0.00           O  
HETATM   27  C   UNL     1       2.834  -0.008  -0.851  1.00  0.00           C  
HETATM   28  C   UNL     1       3.924  -0.428  -1.625  1.00  0.00           C  
HETATM   29  C   UNL     1       3.054   0.713   0.329  1.00  0.00           C  
HETATM   30  C   UNL     1       4.342   1.003   0.730  1.00  0.00           C  
HETATM   31  O   UNL     1       4.556   1.704   1.876  1.00  0.00           O  
HETATM   32  C   UNL     1       3.402   2.107   2.615  1.00  0.00           C  
HETATM   33  C   UNL     1       5.425   0.579  -0.039  1.00  0.00           C  
HETATM   34  O   UNL     1       6.692   0.865   0.358  1.00  0.00           O  
HETATM   35  C   UNL     1       7.254   2.095  -0.105  1.00  0.00           C  
HETATM   36  C   UNL     1       5.210  -0.134  -1.218  1.00  0.00           C  
HETATM   37  O   UNL     1       6.270  -0.546  -1.965  1.00  0.00           O  
HETATM   38  C   UNL     1       5.977  -1.272  -3.161  1.00  0.00           C  
HETATM   39  H   UNL     1       0.892  -2.257   0.022  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.223  -4.037   0.070  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.228  -3.052   1.166  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.601  -2.552  -1.769  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.192  -2.811  -1.024  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.875  -0.770  -2.184  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.803   3.408  -0.899  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.558   3.687  -2.141  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.274   3.588  -2.606  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.842   2.930  -0.322  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.612   3.733   2.100  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.059   3.759   0.377  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.307   3.487   1.617  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.067  -0.930   2.119  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.582   1.028   1.026  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.008   0.557   2.886  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.684   0.267   3.418  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.191  -1.582   4.131  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.409  -2.155   2.967  1.00  0.00           H  
HETATM   58  H   UNL     1       0.841  -3.043   2.401  1.00  0.00           H  
HETATM   59  H   UNL     1       1.475  -1.384   2.291  1.00  0.00           H  
HETATM   60  H   UNL     1       3.759  -0.981  -2.538  1.00  0.00           H  
HETATM   61  H   UNL     1       2.215   1.042   0.926  1.00  0.00           H  
HETATM   62  H   UNL     1       2.834   1.225   2.912  1.00  0.00           H  
HETATM   63  H   UNL     1       3.713   2.655   3.504  1.00  0.00           H  
HETATM   64  H   UNL     1       2.777   2.747   1.992  1.00  0.00           H  
HETATM   65  H   UNL     1       6.643   2.928   0.242  1.00  0.00           H  
HETATM   66  H   UNL     1       8.267   2.200   0.284  1.00  0.00           H  
HETATM   67  H   UNL     1       7.282   2.094  -1.195  1.00  0.00           H  
HETATM   68  H   UNL     1       6.908  -1.540  -3.660  1.00  0.00           H  
HETATM   69  H   UNL     1       5.425  -2.178  -2.910  1.00  0.00           H  
HETATM   70  H   UNL     1       5.374  -0.651  -3.824  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    1    1    3                                       
CONECT    3   22    2   21   39                                       
CONECT    4    5   17    2                                            
CONECT    5    6    4   40   41                                       
CONECT    6    7    5   42   43                                       
CONECT    7    8    6   16   16                                       
CONECT    8    9    9    7   44                                       
CONECT    9   10    8    8   12                                       
CONECT   10   11    9                                                 
CONECT   11   10   45   46   47                                       
CONECT   12    9   13   13   48                                       
CONECT   13   12   12   16   14                                       
CONECT   14   13   15                                                 
CONECT   15   14   49   50   51                                       
CONECT   16    7    7   13   17                                       
CONECT   17   16    4   18   52                                       
CONECT   18   17   22   19   53                                       
CONECT   19   18   20   54   55                                       
CONECT   20   19   21   56   57                                       
CONECT   21    3   20   58   59                                       
CONECT   22   23   18    3                                            
CONECT   23   25   24   24   22                                       
CONECT   24   23   23                                                 
CONECT   25   27   23   26   26                                       
CONECT   26   25   25                                                 
CONECT   27   28   28   29   25                                       
CONECT   28   36   27   27   60                                       
CONECT   29   30   30   27   61                                       
CONECT   30   33   31   29   29                                       
CONECT   31   30   32                                                 
CONECT   32   31   62   63   64                                       
CONECT   33   34   36   36   30                                       
CONECT   34   35   33                                                 
CONECT   35   34   65   66   67                                       
CONECT   36   37   33   33   28                                       
CONECT   37   38   36                                                 
CONECT   38   37   68   69   70                                       
CONECT   39    3                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    8                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   15                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   21                                                      
CONECT   60   28                                                      
CONECT   61   29                                                      
CONECT   62   32                                                      
CONECT   63   32                                                      
CONECT   64   32                                                      
CONECT   65   35                                                      
CONECT   66   35                                                      
CONECT   67   35                                                      
CONECT   68   38                                                      
CONECT   69   38                                                      
CONECT   70   38                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
