COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.705  -1.436   0.868  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.129  -0.062   0.333  1.00  0.00           C  
HETATM    3  C   UNL     1       0.463  -1.926   0.045  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.032   0.963   0.634  1.00  0.00           C  
HETATM    5  C   UNL     1       2.053   2.834   0.064  1.00  0.00           C  
HETATM    6  O   UNL     1       2.327   1.804   0.650  1.00  0.00           O  
HETATM    7  C   UNL     1       0.666   3.124  -0.330  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.310   2.258  -0.078  1.00  0.00           C  
HETATM    9  C   UNL     1       4.476   1.895   0.444  1.00  0.00           C  
HETATM   10  C   UNL     1       4.414   3.383   0.103  1.00  0.00           C  
HETATM   11  N   UNL     1       3.024   3.737  -0.237  1.00  0.00           N  
HETATM   12  C   UNL     1       5.799   1.299  -0.044  1.00  0.00           C  
HETATM   13  C   UNL     1       2.830  -2.134  -0.416  1.00  0.00           C  
HETATM   14  C   UNL     1       1.716  -1.660   0.409  1.00  0.00           C  
HETATM   15  C   UNL     1       5.273  -1.817  -1.087  1.00  0.00           C  
HETATM   16  C   UNL     1       4.096  -1.563  -0.255  1.00  0.00           C  
HETATM   17  N   UNL     1       6.289  -1.016  -0.722  1.00  0.00           N  
HETATM   18  C   UNL     1       5.854  -0.171   0.394  1.00  0.00           C  
HETATM   19  C   UNL     1       4.453  -0.627   0.746  1.00  0.00           C  
HETATM   20  O   UNL     1       5.325  -2.638  -1.984  1.00  0.00           O  
HETATM   21  O   UNL     1       3.778  -0.266   1.689  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.414   0.328   1.039  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.493  -0.701   0.609  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.151  -1.992   1.333  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.811  -2.469   0.760  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.025   1.668   0.641  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.556   1.473   0.722  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.803  -0.030   1.004  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.177   1.774  -0.645  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.073   0.591  -1.024  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.930  -0.474   0.067  1.00  0.00           C  
HETATM   32  O   UNL     1      -4.164  -2.972   1.093  1.00  0.00           O  
HETATM   33  C   UNL     1      -7.239  -0.593   0.850  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.629   0.016  -2.371  1.00  0.00           C  
HETATM   35  O   UNL     1       2.625  -3.068  -1.362  1.00  0.00           O  
HETATM   36  C   UNL     1      -5.887   1.044  -3.474  1.00  0.00           C  
HETATM   37  H   UNL     1      -0.394  -1.339   1.905  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.298  -0.116  -0.743  1.00  0.00           H  
HETATM   39  H   UNL     1       0.271  -2.499  -0.853  1.00  0.00           H  
HETATM   40  H   UNL     1       0.006   1.144   1.708  1.00  0.00           H  
HETATM   41  H   UNL     1       0.929   0.570   0.302  1.00  0.00           H  
HETATM   42  H   UNL     1       0.434   4.062  -0.818  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.316   2.501  -0.393  1.00  0.00           H  
HETATM   44  H   UNL     1       4.398   1.768   1.524  1.00  0.00           H  
HETATM   45  H   UNL     1       3.648   1.378  -0.041  1.00  0.00           H  
HETATM   46  H   UNL     1       4.740   3.968   0.962  1.00  0.00           H  
HETATM   47  H   UNL     1       5.062   3.589  -0.749  1.00  0.00           H  
HETATM   48  H   UNL     1       2.810   4.583  -0.661  1.00  0.00           H  
HETATM   49  H   UNL     1       5.852   1.361  -1.131  1.00  0.00           H  
HETATM   50  H   UNL     1       6.633   1.845   0.397  1.00  0.00           H  
HETATM   51  H   UNL     1       1.914  -1.104   1.313  1.00  0.00           H  
HETATM   52  H   UNL     1       7.169  -1.000  -1.130  1.00  0.00           H  
HETATM   53  H   UNL     1       6.517  -0.287   1.246  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.270   0.289   2.119  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.456  -0.857  -0.469  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.056  -1.807   2.403  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.952  -2.720  -0.292  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.503  -3.368   1.294  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.708   2.447   1.335  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.732   1.928  -0.375  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.998   2.096   1.496  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.054  -0.207   2.046  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.773   2.685  -0.587  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.390   1.895  -1.390  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.110   0.919  -1.087  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.679  -1.434  -0.384  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.002  -3.820   1.530  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.492   0.375   1.285  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.037  -0.909   0.178  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.121  -1.329   1.645  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.565  -0.217  -2.333  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.193  -0.892  -2.581  1.00  0.00           H  
HETATM   73  H   UNL     1       1.722  -3.400  -1.464  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.951   1.277  -3.511  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.324   1.953  -3.264  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.571   0.635  -4.433  1.00  0.00           H  
CONECT    1    3   25    2   37                                       
CONECT    2    1    4   22   38                                       
CONECT    3   14   14    1   39                                       
CONECT    4    8    2   40   41                                       
CONECT    5   11    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5    8    8   42                                       
CONECT    8    7    7    4   43                                       
CONECT    9   12   10   44   45                                       
CONECT   10    9   11   46   47                                       
CONECT   11   10    5   48                                            
CONECT   12   18    9   49   50                                       
CONECT   13   16   16   35   14                                       
CONECT   14   13    3    3   51                                       
CONECT   15   17   20   20   16                                       
CONECT   16   15   19   13   13                                       
CONECT   17   18   15   52                                            
CONECT   18   17   12   19   53                                       
CONECT   19   18   21   21   16                                       
CONECT   20   15   15                                                 
CONECT   21   19   19                                                 
CONECT   22    2   23   26   54                                       
CONECT   23   24   22   28   55                                       
CONECT   24   25   32   23   56                                       
CONECT   25    1   24   57   58                                       
CONECT   26   22   27   59   60                                       
CONECT   27   26   28   29   61                                       
CONECT   28   23   27   31   62                                       
CONECT   29   27   30   63   64                                       
CONECT   30   31   29   34   65                                       
CONECT   31   28   33   30   66                                       
CONECT   32   24   67                                                 
CONECT   33   31   68   69   70                                       
CONECT   34   30   36   71   72                                       
CONECT   35   13   73                                                 
CONECT   36   34   74   75   76                                       
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   14                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   22                                                      
CONECT   55   23                                                      
CONECT   56   24                                                      
CONECT   57   25                                                      
CONECT   58   25                                                      
CONECT   59   26                                                      
CONECT   60   26                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   29                                                      
CONECT   65   30                                                      
CONECT   66   31                                                      
CONECT   67   32                                                      
CONECT   68   33                                                      
CONECT   69   33                                                      
CONECT   70   33                                                      
CONECT   71   34                                                      
CONECT   72   34                                                      
CONECT   73   35                                                      
CONECT   74   36                                                      
CONECT   75   36                                                      
CONECT   76   36                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
