COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.315  -0.365   1.006  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.509  -0.148  -0.479  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.653  -1.505  -1.031  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.550  -2.372   0.028  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.353  -1.695   1.207  1.00  0.00           N  
HETATM    6  O   UNL     1      -2.151   0.492   1.848  1.00  0.00           O  
HETATM    7  C   UNL     1      -3.774   0.672  -0.739  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.017  -0.195  -0.660  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.973  -0.020  -0.088  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.239   0.800  -0.347  1.00  0.00           C  
HETATM   11  C   UNL     1       1.210   0.629  -1.054  1.00  0.00           C  
HETATM   12  C   UNL     1       2.480  -0.113  -0.631  1.00  0.00           C  
HETATM   13  C   UNL     1       2.532  -1.473  -1.330  1.00  0.00           C  
HETATM   14  C   UNL     1       1.304  -2.297  -0.936  1.00  0.00           C  
HETATM   15  C   UNL     1       0.035  -1.555  -1.359  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.455   0.046   0.195  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.720   0.867  -0.065  1.00  0.00           C  
HETATM   18  C   UNL     1      -8.604   2.220   0.639  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.387   2.974   0.097  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.122   2.154   0.356  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.629  -3.667  -0.072  1.00  0.00           N  
HETATM   22  N   UNL     1       3.655   0.675  -1.009  1.00  0.00           N  
HETATM   23  C   UNL     1       4.814   0.520  -0.338  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.287   0.547  -1.083  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.204  -2.339   2.515  1.00  0.00           C  
HETATM   26  O   UNL     1       4.884  -0.274   0.579  1.00  0.00           O  
HETATM   27  N   UNL     1       5.896   1.246  -0.686  1.00  0.00           N  
HETATM   28  C   UNL     1       7.127   1.006  -0.066  1.00  0.00           C  
HETATM   29  C   UNL     1       8.016   2.053   0.144  1.00  0.00           C  
HETATM   30  C   UNL     1       9.230   1.813   0.756  1.00  0.00           C  
HETATM   31  C   UNL     1       9.562   0.533   1.160  1.00  0.00           C  
HETATM   32  C   UNL     1       8.680  -0.512   0.951  1.00  0.00           C  
HETATM   33  C   UNL     1       7.461  -0.277   0.345  1.00  0.00           C  
HETATM   34  H   UNL     1      -3.655   1.669  -0.313  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.941   0.753  -1.813  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.025  -0.342   0.420  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.093  -1.017  -0.513  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.807  -0.101   0.986  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.357   0.956  -1.420  1.00  0.00           H  
HETATM   40  H   UNL     1       1.218   0.775  -2.134  1.00  0.00           H  
HETATM   41  H   UNL     1       1.173   1.598  -0.556  1.00  0.00           H  
HETATM   42  H   UNL     1       2.472  -0.260   0.449  1.00  0.00           H  
HETATM   43  H   UNL     1       2.540  -1.327  -2.410  1.00  0.00           H  
HETATM   44  H   UNL     1       3.436  -2.002  -1.029  1.00  0.00           H  
HETATM   45  H   UNL     1       1.342  -3.266  -1.434  1.00  0.00           H  
HETATM   46  H   UNL     1       1.297  -2.444   0.144  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.840  -2.142  -1.078  1.00  0.00           H  
HETATM   48  H   UNL     1       0.043  -1.408  -2.439  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.538  -0.918  -0.306  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.337  -0.110   1.267  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.838   1.023  -1.137  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.587   0.330   0.322  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.505   2.805   0.454  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.486   2.064   1.711  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.505   3.130  -0.976  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.304   3.938   0.598  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.004   1.997   1.428  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.256   2.690  -0.030  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.548  -4.221   0.721  1.00  0.00           H  
HETATM   60  H   UNL     1       3.599   1.309  -1.741  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.366   0.542  -2.170  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.242   1.576  -0.727  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.184  -2.447   2.980  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.752  -3.322   2.387  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.566  -1.725   3.151  1.00  0.00           H  
HETATM   66  H   UNL     1       5.820   1.934  -1.365  1.00  0.00           H  
HETATM   67  H   UNL     1       7.757   3.053  -0.171  1.00  0.00           H  
HETATM   68  H   UNL     1       9.922   2.626   0.920  1.00  0.00           H  
HETATM   69  H   UNL     1      10.513   0.348   1.638  1.00  0.00           H  
HETATM   70  H   UNL     1       8.942  -1.510   1.267  1.00  0.00           H  
HETATM   71  H   UNL     1       6.771  -1.093   0.187  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.794  -1.740  -1.962  1.00  0.00           H  
CONECT    1    2    6    6    5                                       
CONECT    2   24    7    3    1                                       
CONECT    3    2    4   72                                            
CONECT    4    3    5   21   21                                       
CONECT    5    1    4   25                                            
CONECT    6    1    1                                                 
CONECT    7    2    9   34   35                                       
CONECT    8   11   15   24   36                                       
CONECT    9    7   10   37   38                                       
CONECT   10   20    9   16   39                                       
CONECT   11   12    8   40   41                                       
CONECT   12   22   13   11   42                                       
CONECT   13   12   14   43   44                                       
CONECT   14   13   15   45   46                                       
CONECT   15   14    8   47   48                                       
CONECT   16   10   17   49   50                                       
CONECT   17   18   16   51   52                                       
CONECT   18   19   17   53   54                                       
CONECT   19   20   18   55   56                                       
CONECT   20   19   10   57   58                                       
CONECT   21    4    4   59                                            
CONECT   22   23   12   60                                            
CONECT   23   27   22   26   26                                       
CONECT   24    8    2   61   62                                       
CONECT   25    5   63   64   65                                       
CONECT   26   23   23                                                 
CONECT   27   28   23   66                                            
CONECT   28   29   27   33   33                                       
CONECT   29   30   30   28   67                                       
CONECT   30   29   29   31   68                                       
CONECT   31   30   32   32   69                                       
CONECT   32   31   31   33   70                                       
CONECT   33   28   28   32   71                                       
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   14                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   16                                                      
CONECT   51   17                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   18                                                      
CONECT   55   19                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   24                                                      
CONECT   62   24                                                      
CONECT   63   25                                                      
CONECT   64   25                                                      
CONECT   65   25                                                      
CONECT   66   27                                                      
CONECT   67   29                                                      
CONECT   68   30                                                      
CONECT   69   31                                                      
CONECT   70   32                                                      
CONECT   71   33                                                      
CONECT   72    3                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
