COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.483   0.333   0.013  1.00  0.00           C  
HETATM    2  C   UNL     1       0.160   0.823  -0.316  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.721   0.850  -0.465  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.854   0.046   0.209  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.380  -2.244  -0.266  1.00  0.00           C  
HETATM    6  C   UNL     1       5.147   1.002   0.898  1.00  0.00           C  
HETATM    7  C   UNL     1       4.861  -0.374   0.287  1.00  0.00           C  
HETATM    8  C   UNL     1       3.703  -0.248  -0.707  1.00  0.00           C  
HETATM    9  C   UNL     1       3.872   1.534   1.556  1.00  0.00           C  
HETATM   10  C   UNL     1       4.133   2.933   2.117  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.709  -0.436  -0.250  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.026  -1.481   0.635  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.497  -1.184  -0.324  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.620  -2.081   0.324  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.982  -0.855   0.851  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.099   0.207   0.800  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.934   2.161  -0.539  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.629   3.886  -0.835  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.375   4.874  -1.693  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.557   1.886  -1.153  1.00  0.00           C  
HETATM   21  N   UNL     1      -7.565  -3.219   0.385  1.00  0.00           N  
HETATM   22  N   UNL     1      -2.659   3.121  -1.375  1.00  0.00           N  
HETATM   23  O   UNL     1       5.566   1.903  -0.129  1.00  0.00           O  
HETATM   24  O   UNL     1       6.026  -0.846  -0.394  1.00  0.00           O  
HETATM   25  O   UNL     1       5.212  -2.987  -1.264  1.00  0.00           O  
HETATM   26  O   UNL     1       7.505  -2.622  -0.859  1.00  0.00           O  
HETATM   27  O   UNL     1       5.835  -2.740   0.996  1.00  0.00           O  
HETATM   28  O   UNL     1       3.379  -1.538  -1.230  1.00  0.00           O  
HETATM   29  O   UNL     1       2.981   3.383   2.832  1.00  0.00           O  
HETATM   30  O   UNL     1       2.826   1.597   0.585  1.00  0.00           O  
HETATM   31  O   UNL     1       1.416   0.506  -0.920  1.00  0.00           O  
HETATM   32  O   UNL     1      -0.775  -2.697   0.599  1.00  0.00           O  
HETATM   33  O   UNL     1      -1.984  -0.104   0.302  1.00  0.00           O  
HETATM   34  O   UNL     1      -3.985   1.089   0.158  1.00  0.00           O  
HETATM   35  O   UNL     1      -7.249  -4.298  -0.084  1.00  0.00           O  
HETATM   36  O   UNL     1      -8.657  -3.076   0.904  1.00  0.00           O  
HETATM   37  O   UNL     1      -3.900   3.779   0.343  1.00  0.00           O  
HETATM   38  O   UNL     1       0.213   3.090  -1.160  1.00  0.00           O  
HETATM   39  S   UNL     1       6.220  -2.354  -0.316  1.00  0.00           S  
HETATM   40  H   UNL     1       2.169  -0.349   0.803  1.00  0.00           H  
HETATM   41  H   UNL     1       0.327   1.205   0.692  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.880   0.463  -1.471  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.100  -3.203  -0.677  1.00  0.00           H  
HETATM   44  H   UNL     1       5.935   0.911   1.646  1.00  0.00           H  
HETATM   45  H   UNL     1       4.590  -1.075   1.076  1.00  0.00           H  
HETATM   46  H   UNL     1       3.993   0.414  -1.523  1.00  0.00           H  
HETATM   47  H   UNL     1       3.576   0.867   2.366  1.00  0.00           H  
HETATM   48  H   UNL     1       4.989   2.901   2.791  1.00  0.00           H  
HETATM   49  H   UNL     1       4.342   3.620   1.296  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.841  -0.839  -1.253  1.00  0.00           H  
HETATM   51  H   UNL     1       0.984  -1.665   0.267  1.00  0.00           H  
HETATM   52  H   UNL     1       0.022  -1.114   1.660  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.528  -1.312  -0.785  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.951  -0.730   1.311  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.378   1.162   1.220  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.810   2.569   0.463  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.250   4.391  -2.127  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.692   5.720  -1.083  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.722   5.227  -2.492  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.679   1.524  -2.174  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.442   3.207  -2.316  1.00  0.00           H  
HETATM   62  H   UNL     1       5.763   2.795   0.187  1.00  0.00           H  
HETATM   63  H   UNL     1       2.652  -1.533  -1.867  1.00  0.00           H  
HETATM   64  H   UNL     1       3.075   4.265   3.216  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.399  -3.407   1.139  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.184   3.807  -1.673  1.00  0.00           H  
HETATM   67  H   UNL     1       5.250  -3.953  -1.291  1.00  0.00           H  
CONECT    1    8   31   30   40                                       
CONECT    2   11   31   20   41                                       
CONECT    3   33   34   17   42                                       
CONECT    4   13   13   16   34                                       
CONECT    5   14   14   13   43                                       
CONECT    6    7    9   23   44                                       
CONECT    7   24    8    6   45                                       
CONECT    8   28    7    1   46                                       
CONECT    9    6   30   10   47                                       
CONECT   10    9   29   48   49                                       
CONECT   11   12   33    2   50                                       
CONECT   12   32   11   51   52                                       
CONECT   13    5    4    4   53                                       
CONECT   14   21    5    5   15                                       
CONECT   15   14   16   16   54                                       
CONECT   16   15   15    4   55                                       
CONECT   17    3   20   22   56                                       
CONECT   18   22   37   37   19                                       
CONECT   19   18   57   58   59                                       
CONECT   20    2   17   38   60                                       
CONECT   21   36   36   35   35                                       
CONECT   21   14                                                      
CONECT   22   17   18   61                                            
CONECT   23    6   62                                                 
CONECT   24   39    7                                                 
CONECT   25   39   67                                                 
CONECT   26   39   39                                                 
CONECT   27   39   39                                                 
CONECT   28    8   63                                                 
CONECT   29   10   64                                                 
CONECT   30    1    9                                                 
CONECT   31    1    2                                                 
CONECT   32   12   65                                                 
CONECT   33   11    3                                                 
CONECT   34    4    3                                                 
CONECT   35   21   21                                                 
CONECT   36   21   21                                                 
CONECT   37   18   18                                                 
CONECT   38   20   66                                                 
CONECT   39   27   27   26   26                                       
CONECT   39   25   24                                                 
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   28                                                      
CONECT   64   29                                                      
CONECT   65   32                                                      
CONECT   66   38                                                      
CONECT   67   25                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
