COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.451   2.266   1.571  1.00  0.00           C  
HETATM    2  C   UNL     1       0.067   0.796   1.388  1.00  0.00           C  
HETATM    3  C   UNL     1       2.072  -0.376   0.855  1.00  0.00           C  
HETATM    4  C   UNL     1       3.029  -1.028  -0.110  1.00  0.00           C  
HETATM    5  C   UNL     1       4.227  -1.587   0.659  1.00  0.00           C  
HETATM    6  C   UNL     1       5.980   0.471   0.007  1.00  0.00           C  
HETATM    7  C   UNL     1       6.290   1.821  -0.019  1.00  0.00           C  
HETATM    8  C   UNL     1       6.938   2.361  -1.115  1.00  0.00           C  
HETATM    9  C   UNL     1       7.277   1.550  -2.183  1.00  0.00           C  
HETATM   10  C   UNL     1       6.968   0.204  -2.164  1.00  0.00           C  
HETATM   11  C   UNL     1       6.311  -0.351  -1.072  1.00  0.00           C  
HETATM   12  C   UNL     1       5.136  -2.326  -0.289  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.362   0.704   0.918  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.221   1.747   0.014  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.585   1.946  -0.872  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.292   0.713  -0.457  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.260  -0.408  -0.522  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.549  -0.250  -0.016  1.00  0.00           C  
HETATM   19  C   UNL     1      -8.446  -1.297  -0.080  1.00  0.00           C  
HETATM   20  C   UNL     1      -8.067  -2.502  -0.644  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.789  -2.665  -1.148  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.886  -1.622  -1.096  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.938   0.557   0.054  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.281  -0.600   0.571  1.00  0.00           C  
HETATM   25  N   UNL     1       6.017  -1.712  -1.072  1.00  0.00           N  
HETATM   26  N   UNL     1      -1.944   1.770   0.455  1.00  0.00           N  
HETATM   27  N   UNL     1      -2.003  -0.490   0.985  1.00  0.00           N  
HETATM   28  O   UNL     1       0.941   0.187   0.402  1.00  0.00           O  
HETATM   29  O   UNL     1       2.324  -0.361   2.037  1.00  0.00           O  
HETATM   30  O   UNL     1       5.060  -3.536  -0.339  1.00  0.00           O  
HETATM   31  O   UNL     1      -3.862  -1.670   0.629  1.00  0.00           O  
HETATM   32  S   UNL     1       5.162  -0.221   1.410  1.00  0.00           S  
HETATM   33  S   UNL     1      -4.223   3.027  -0.656  1.00  0.00           S  
HETATM   34  H   UNL     1       0.347   2.789   0.621  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.206   2.723   2.312  1.00  0.00           H  
HETATM   36  H   UNL     1       1.484   2.332   1.911  1.00  0.00           H  
HETATM   37  H   UNL     1       0.171   0.272   2.339  1.00  0.00           H  
HETATM   38  H   UNL     1       2.521  -1.839  -0.632  1.00  0.00           H  
HETATM   39  H   UNL     1       3.374  -0.290  -0.834  1.00  0.00           H  
HETATM   40  H   UNL     1       3.879  -2.264   1.439  1.00  0.00           H  
HETATM   41  H   UNL     1       6.026   2.452   0.817  1.00  0.00           H  
HETATM   42  H   UNL     1       7.178   3.413  -1.137  1.00  0.00           H  
HETATM   43  H   UNL     1       7.786   1.972  -3.037  1.00  0.00           H  
HETATM   44  H   UNL     1       7.236  -0.420  -3.003  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.540   2.240  -1.283  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.846   0.690   0.425  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.445  -1.176   0.312  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.772  -3.319  -0.691  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.499  -3.608  -1.587  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.889  -1.750  -1.490  1.00  0.00           H  
HETATM   51  H   UNL     1       6.501  -2.265  -1.705  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.540  -1.268   1.332  1.00  0.00           H  
CONECT    1    2   34   35   36                                       
CONECT    2    1   13   28   37                                       
CONECT    3   28   29   29    4                                       
CONECT    4    3    5   38   39                                       
CONECT    5   12    4   32   40                                       
CONECT    6   11   32    7    7                                       
CONECT    7    6    6    8   41                                       
CONECT    8    9    9    7   42                                       
CONECT    9   10    8    8   43                                       
CONECT   10   11   11    9   44                                       
CONECT   11   25   10   10    6                                       
CONECT   12   30   30   25    5                                       
CONECT   13   26   26   27    2                                       
CONECT   14   33   23   23   26                                       
CONECT   15   33   16   16   45                                       
CONECT   16   15   15   17   23                                       
CONECT   17   22   16   18   18                                       
CONECT   18   17   17   19   46                                       
CONECT   19   20   20   18   47                                       
CONECT   20   21   19   19   48                                       
CONECT   21   22   22   20   49                                       
CONECT   22   21   21   17   50                                       
CONECT   23   16   14   14   24                                       
CONECT   24   23   31   31   27                                       
CONECT   25   12   11   51                                            
CONECT   26   14   13   13                                            
CONECT   27   24   13   52                                            
CONECT   28    2    3                                                 
CONECT   29    3    3                                                 
CONECT   30   12   12                                                 
CONECT   31   24   24                                                 
CONECT   32    5    6                                                 
CONECT   33   15   14                                                 
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   15                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   25                                                      
CONECT   52   27                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
