COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.243  -0.482  -0.639  1.00  0.00           C  
HETATM    2  O   UNL     1      -8.583  -1.573   0.007  1.00  0.00           O  
HETATM    3  C   UNL     1      -7.249  -1.441   0.231  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.592  -0.282  -0.157  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.239  -0.145   0.070  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.531  -1.173   0.691  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.193  -2.336   1.080  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.548  -2.464   0.855  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.075  -1.030   0.936  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.365  -2.057   1.556  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.011  -1.918   1.782  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.357  -0.762   1.394  1.00  0.00           C  
HETATM   13  C   UNL     1       1.122  -0.617   1.643  1.00  0.00           C  
HETATM   14  N   UNL     1       1.864  -1.133   0.490  1.00  0.00           N  
HETATM   15  C   UNL     1       2.259  -2.543   0.445  1.00  0.00           C  
HETATM   16  C   UNL     1       1.690  -3.185  -0.818  1.00  0.00           C  
HETATM   17  C   UNL     1       2.290  -4.590  -0.958  1.00  0.00           C  
HETATM   18  C   UNL     1       3.769  -4.449  -1.309  1.00  0.00           C  
HETATM   19  C   UNL     1       4.456  -3.517  -0.346  1.00  0.00           C  
HETATM   20  C   UNL     1       5.842  -3.560  -0.280  1.00  0.00           C  
HETATM   21  C   UNL     1       6.530  -2.728   0.579  1.00  0.00           C  
HETATM   22  C   UNL     1       5.835  -1.844   1.382  1.00  0.00           C  
HETATM   23  C   UNL     1       4.457  -1.801   1.320  1.00  0.00           C  
HETATM   24  C   UNL     1       3.763  -2.638   0.456  1.00  0.00           C  
HETATM   25  C   UNL     1       2.184  -0.311  -0.529  1.00  0.00           C  
HETATM   26  O   UNL     1       2.871  -0.717  -1.445  1.00  0.00           O  
HETATM   27  C   UNL     1       1.697   1.088  -0.532  1.00  0.00           C  
HETATM   28  C   UNL     1       2.112   1.971   0.461  1.00  0.00           C  
HETATM   29  C   UNL     1       1.655   3.286   0.458  1.00  0.00           C  
HETATM   30  C   UNL     1       2.095   4.225   1.514  1.00  0.00           C  
HETATM   31  O   UNL     1       3.409   4.430   1.728  1.00  0.00           O  
HETATM   32  O   UNL     1       1.272   4.811   2.188  1.00  0.00           O  
HETATM   33  C   UNL     1       0.775   3.723  -0.549  1.00  0.00           C  
HETATM   34  C   UNL     1       0.361   2.839  -1.542  1.00  0.00           C  
HETATM   35  C   UNL     1       0.822   1.526  -1.542  1.00  0.00           C  
HETATM   36  C   UNL     1       0.386   0.588  -2.601  1.00  0.00           C  
HETATM   37  O   UNL     1      -0.359   1.035  -3.630  1.00  0.00           O  
HETATM   38  O   UNL     1       0.700  -0.583  -2.541  1.00  0.00           O  
HETATM   39  C   UNL     1       0.288   5.121  -0.551  1.00  0.00           C  
HETATM   40  O   UNL     1       0.741   5.923   0.240  1.00  0.00           O  
HETATM   41  O   UNL     1      -0.657   5.503  -1.432  1.00  0.00           O  
HETATM   42  C   UNL     1      -1.056   0.260   0.777  1.00  0.00           C  
HETATM   43  C   UNL     1      -2.410   0.130   0.542  1.00  0.00           C  
HETATM   44  H   UNL     1      -0.461  -2.713   2.263  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.141   0.514  -0.638  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.728   0.757  -0.233  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.647  -3.134   1.561  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.062  -3.364   1.160  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.875  -2.959   1.860  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.795  -0.315  -1.619  1.00  0.00           H  
HETATM   51  H   UNL     1     -10.300  -0.716  -0.758  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.135   0.418  -0.033  1.00  0.00           H  
HETATM   53  H   UNL     1       1.861  -3.056   1.321  1.00  0.00           H  
HETATM   54  H   UNL     1       6.387  -4.251  -0.908  1.00  0.00           H  
HETATM   55  H   UNL     1       7.609  -2.768   0.624  1.00  0.00           H  
HETATM   56  H   UNL     1       6.368  -1.189   2.056  1.00  0.00           H  
HETATM   57  H   UNL     1       3.914  -1.109   1.947  1.00  0.00           H  
HETATM   58  H   UNL     1       2.787   1.636   1.234  1.00  0.00           H  
HETATM   59  H   UNL     1       1.364   0.436   1.789  1.00  0.00           H  
HETATM   60  H   UNL     1       1.397  -1.180   2.534  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.315   3.174  -2.315  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.541   1.160   0.476  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.954   0.928   0.060  1.00  0.00           H  
HETATM   64  H   UNL     1       0.605  -3.255  -0.738  1.00  0.00           H  
HETATM   65  H   UNL     1       1.957  -2.584  -1.688  1.00  0.00           H  
HETATM   66  H   UNL     1       2.185  -5.129  -0.017  1.00  0.00           H  
HETATM   67  H   UNL     1       1.774  -5.131  -1.751  1.00  0.00           H  
HETATM   68  H   UNL     1       4.245  -5.429  -1.262  1.00  0.00           H  
HETATM   69  H   UNL     1       3.863  -4.054  -2.320  1.00  0.00           H  
HETATM   70  H   UNL     1       3.650   4.994   2.476  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.620   0.385  -4.298  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.943   6.426  -1.395  1.00  0.00           H  
CONECT    1   51    2   50   52                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4    8                                       
CONECT    4    3    3    5   45                                       
CONECT    5    4   46    6    6                                       
CONECT    6    5    5    9    7                                       
CONECT    7    6   47    8    8                                       
CONECT    8    3    7    7   48                                       
CONECT    9    6   43   43   10                                       
CONECT   10    9   11   11   49                                       
CONECT   11   10   10   12   44                                       
CONECT   12   11   13   42   42                                       
CONECT   13   12   59   60   14                                       
CONECT   14   13   15   25                                            
CONECT   15   14   24   16   53                                       
CONECT   16   15   17   64   65                                       
CONECT   17   16   18   66   67                                       
CONECT   18   17   69   68   19                                       
CONECT   19   18   20   20   24                                       
CONECT   20   19   19   54   21                                       
CONECT   21   20   55   22   22                                       
CONECT   22   21   21   56   23                                       
CONECT   23   22   24   24   57                                       
CONECT   24   15   19   23   23                                       
CONECT   25   14   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   28   28   35                                       
CONECT   28   27   27   58   29                                       
CONECT   29   28   30   33   33                                       
CONECT   30   29   32   32   31                                       
CONECT   31   30   70                                                 
CONECT   32   30   30                                                 
CONECT   33   29   29   34   39                                       
CONECT   34   33   35   35   61                                       
CONECT   35   27   34   34   36                                       
CONECT   36   35   38   38   37                                       
CONECT   37   36   71                                                 
CONECT   38   36   36                                                 
CONECT   39   33   40   40   41                                       
CONECT   40   39   39                                                 
CONECT   41   39   72                                                 
CONECT   42   12   12   62   43                                       
CONECT   43    9    9   42   63                                       
CONECT   44   11                                                      
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49   10                                                      
CONECT   50    1                                                      
CONECT   51    1                                                      
CONECT   52    1                                                      
CONECT   53   15                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   22                                                      
CONECT   57   23                                                      
CONECT   58   28                                                      
CONECT   59   13                                                      
CONECT   60   13                                                      
CONECT   61   34                                                      
CONECT   62   42                                                      
CONECT   63   43                                                      
CONECT   64   16                                                      
CONECT   65   16                                                      
CONECT   66   17                                                      
CONECT   67   17                                                      
CONECT   68   18                                                      
CONECT   69   18                                                      
CONECT   70   31                                                      
CONECT   71   37                                                      
CONECT   72   41                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
