COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.190  -1.213   0.273  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.732   0.628   0.573  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.450  -0.741   0.532  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.773  -0.376  -0.246  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.281   0.904  -0.376  1.00  0.00           C  
HETATM    6  C   UNL     1       1.283  -0.848  -0.281  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.566  -2.365  -0.208  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.444  -1.289  -0.372  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.844   1.210  -0.693  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.362   2.339   0.221  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.743   1.672  -2.148  1.00  0.00           C  
HETATM   12  C   UNL     1       2.086  -3.457   1.495  1.00  0.00           C  
HETATM   13  C   UNL     1       5.088   0.932  -0.316  1.00  0.00           C  
HETATM   14  C   UNL     1       4.672   0.013  -1.468  1.00  0.00           C  
HETATM   15  N   UNL     1     -10.132   1.394   1.072  1.00  0.00           N  
HETATM   16  C   UNL     1      -9.070   1.055   0.851  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.742   1.592   0.350  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.460   1.127   0.085  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.187  -0.266   0.048  1.00  0.00           C  
HETATM   20  N   UNL     1      -4.288   1.788  -0.174  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.956   0.011  -0.499  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.905  -1.554  -0.393  1.00  0.00           C  
HETATM   23  O   UNL     1      -3.357  -2.677  -0.523  1.00  0.00           O  
HETATM   24  C   UNL     1       0.411   0.220  -0.449  1.00  0.00           C  
HETATM   25  C   UNL     1       0.791  -2.145  -0.163  1.00  0.00           C  
HETATM   26  C   UNL     1       1.740  -3.303   0.013  1.00  0.00           C  
HETATM   27  N   UNL     1       2.654  -0.621  -0.232  1.00  0.00           N  
HETATM   28  C   UNL     1       3.000   0.270   0.883  1.00  0.00           C  
HETATM   29  C   UNL     1       4.523   0.381   0.996  1.00  0.00           C  
HETATM   30  C   UNL     1       3.145  -0.087  -1.509  1.00  0.00           C  
HETATM   31  N   UNL     1       6.553   0.986  -0.235  1.00  0.00           N  
HETATM   32  C   UNL     1       6.990   1.952   0.784  1.00  0.00           C  
HETATM   33  C   UNL     1       8.519   2.020   0.793  1.00  0.00           C  
HETATM   34  O   UNL     1       9.048   0.712   1.025  1.00  0.00           O  
HETATM   35  C   UNL     1       8.644  -0.254   0.051  1.00  0.00           C  
HETATM   36  C   UNL     1       7.115  -0.345   0.034  1.00  0.00           C  
HETATM   37  H   UNL     1      -5.979  -2.272   0.247  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.248  -1.447   0.710  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.953  -3.369  -0.117  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.451   2.026   1.262  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.320   2.567  -0.002  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.973   3.226   0.055  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.349   2.567  -2.288  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.703   1.896  -2.387  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.105   0.882  -2.806  1.00  0.00           H  
HETATM   46  H   UNL     1       1.175  -3.645   2.064  1.00  0.00           H  
HETATM   47  H   UNL     1       2.773  -4.294   1.623  1.00  0.00           H  
HETATM   48  H   UNL     1       2.558  -2.543   1.856  1.00  0.00           H  
HETATM   49  H   UNL     1       4.694   1.934  -0.490  1.00  0.00           H  
HETATM   50  H   UNL     1       5.035   0.423  -2.410  1.00  0.00           H  
HETATM   51  H   UNL     1       5.098  -0.979  -1.314  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.965   2.648   0.381  1.00  0.00           H  
HETATM   53  H   UNL     1       0.803   1.222  -0.540  1.00  0.00           H  
HETATM   54  H   UNL     1       2.651  -3.115  -0.555  1.00  0.00           H  
HETATM   55  H   UNL     1       1.269  -4.217  -0.347  1.00  0.00           H  
HETATM   56  H   UNL     1       2.576   1.258   0.704  1.00  0.00           H  
HETATM   57  H   UNL     1       2.596  -0.136   1.811  1.00  0.00           H  
HETATM   58  H   UNL     1       4.946  -0.605   1.188  1.00  0.00           H  
HETATM   59  H   UNL     1       4.779   1.054   1.814  1.00  0.00           H  
HETATM   60  H   UNL     1       2.721   0.902  -1.677  1.00  0.00           H  
HETATM   61  H   UNL     1       2.847  -0.753  -2.319  1.00  0.00           H  
HETATM   62  H   UNL     1       6.583   2.936   0.550  1.00  0.00           H  
HETATM   63  H   UNL     1       6.633   1.633   1.763  1.00  0.00           H  
HETATM   64  H   UNL     1       8.873   2.390  -0.170  1.00  0.00           H  
HETATM   65  H   UNL     1       8.849   2.692   1.585  1.00  0.00           H  
HETATM   66  H   UNL     1       9.001   0.050  -0.933  1.00  0.00           H  
HETATM   67  H   UNL     1       9.063  -1.227   0.307  1.00  0.00           H  
HETATM   68  H   UNL     1       6.761  -0.701   1.002  1.00  0.00           H  
HETATM   69  H   UNL     1       6.801  -1.038  -0.746  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.193   2.753  -0.207  1.00  0.00           H  
CONECT    1    3    3   19   37                                       
CONECT    2    3   16   17   17                                       
CONECT    3    1    1    2   38                                       
CONECT    4    5    5   19   22                                       
CONECT    5    4    4    9   20                                       
CONECT    6   24   24   25   27                                       
CONECT    7    8   25   25   39                                       
CONECT    8    7   21   21   22                                       
CONECT    9    5   10   11   21                                       
CONECT   10    9   40   41   42                                       
CONECT   11    9   43   44   45                                       
CONECT   12   26   46   47   48                                       
CONECT   13   14   29   31   49                                       
CONECT   14   13   30   50   51                                       
CONECT   15   16   16   16                                            
CONECT   16    2   15   15   15                                       
CONECT   17    2    2   18   52                                       
CONECT   18   17   19   19   20                                       
CONECT   19    1    4   18   18                                       
CONECT   20    5   18   70                                            
CONECT   21    8    8    9   24                                       
CONECT   22    4    8   23   23                                       
CONECT   23   22   22                                                 
CONECT   24    6    6   21   53                                       
CONECT   25    6    7    7   26                                       
CONECT   26   12   25   54   55                                       
CONECT   27    6   28   30                                            
CONECT   28   27   29   56   57                                       
CONECT   29   13   28   58   59                                       
CONECT   30   14   27   60   61                                       
CONECT   31   13   32   36                                            
CONECT   32   31   33   62   63                                       
CONECT   33   32   34   64   65                                       
CONECT   34   33   35                                                 
CONECT   35   34   36   66   67                                       
CONECT   36   31   35   68   69                                       
CONECT   37    1                                                      
CONECT   38    3                                                      
CONECT   39    7                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   12                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   17                                                      
CONECT   53   24                                                      
CONECT   54   26                                                      
CONECT   55   26                                                      
CONECT   56   28                                                      
CONECT   57   28                                                      
CONECT   58   29                                                      
CONECT   59   29                                                      
CONECT   60   30                                                      
CONECT   61   30                                                      
CONECT   62   32                                                      
CONECT   63   32                                                      
CONECT   64   33                                                      
CONECT   65   33                                                      
CONECT   66   35                                                      
CONECT   67   35                                                      
CONECT   68   36                                                      
CONECT   69   36                                                      
CONECT   70   20                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
