COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.715   2.355   1.396  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.401  -0.006   0.773  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.532  -0.788  -0.627  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.590  -1.661  -0.114  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.337  -1.199   0.238  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.023   0.144   0.077  1.00  0.00           C  
HETATM    7  C   UNL     1       2.305  -0.218   0.409  1.00  0.00           C  
HETATM    8  C   UNL     1       3.649   0.259   0.895  1.00  0.00           C  
HETATM    9  C   UNL     1       4.655  -0.855   0.764  1.00  0.00           C  
HETATM   10  C   UNL     1       5.419  -1.229   1.854  1.00  0.00           C  
HETATM   11  C   UNL     1       6.342  -2.251   1.733  1.00  0.00           C  
HETATM   12  C   UNL     1       6.500  -2.900   0.523  1.00  0.00           C  
HETATM   13  C   UNL     1       5.736  -2.527  -0.567  1.00  0.00           C  
HETATM   14  C   UNL     1       4.810  -1.508  -0.445  1.00  0.00           C  
HETATM   15  C   UNL     1       4.094   1.437   0.067  1.00  0.00           C  
HETATM   16  C   UNL     1       4.478   2.612   0.686  1.00  0.00           C  
HETATM   17  C   UNL     1       4.886   3.692  -0.073  1.00  0.00           C  
HETATM   18  C   UNL     1       4.910   3.598  -1.452  1.00  0.00           C  
HETATM   19  C   UNL     1       4.526   2.424  -2.072  1.00  0.00           C  
HETATM   20  C   UNL     1       4.122   1.341  -1.312  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.970   1.018  -0.439  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.222   0.550  -0.789  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.334   1.463   2.169  1.00  0.00           C  
HETATM   24  N   UNL     1      -5.096  -1.255   0.255  1.00  0.00           N  
HETATM   25  N   UNL     1       1.245   0.615   0.433  1.00  0.00           N  
HETATM   26  N   UNL     1      -6.148   0.204   1.812  1.00  0.00           N  
HETATM   27  O   UNL     1      -4.639  -0.465  -2.038  1.00  0.00           O  
HETATM   28  O   UNL     1      -3.978  -2.772  -1.339  1.00  0.00           O  
HETATM   29  O   UNL     1       2.176  -1.351  -0.003  1.00  0.00           O  
HETATM   30  S   UNL     1      -4.847   1.480   0.137  1.00  0.00           S  
HETATM   31  S   UNL     1      -4.127  -1.382  -1.082  1.00  0.00           S  
HETATM   32  H   UNL     1      -5.745   3.428   1.517  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.835  -2.705   0.012  1.00  0.00           H  
HETATM   34  H   UNL     1       0.398  -1.882   0.640  1.00  0.00           H  
HETATM   35  H   UNL     1       3.573   0.558   1.941  1.00  0.00           H  
HETATM   36  H   UNL     1       5.295  -0.722   2.799  1.00  0.00           H  
HETATM   37  H   UNL     1       6.939  -2.542   2.584  1.00  0.00           H  
HETATM   38  H   UNL     1       7.222  -3.698   0.429  1.00  0.00           H  
HETATM   39  H   UNL     1       5.860  -3.034  -1.512  1.00  0.00           H  
HETATM   40  H   UNL     1       4.210  -1.219  -1.295  1.00  0.00           H  
HETATM   41  H   UNL     1       4.460   2.685   1.764  1.00  0.00           H  
HETATM   42  H   UNL     1       5.186   4.610   0.411  1.00  0.00           H  
HETATM   43  H   UNL     1       5.227   4.443  -2.046  1.00  0.00           H  
HETATM   44  H   UNL     1       4.544   2.350  -3.149  1.00  0.00           H  
HETATM   45  H   UNL     1       3.826   0.422  -1.795  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.729   2.063  -0.566  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.959   1.230  -1.191  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.938   1.746   3.018  1.00  0.00           H  
HETATM   49  H   UNL     1       1.362   1.541   0.697  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.451  -2.054   0.674  1.00  0.00           H  
CONECT    1   23   23   30   32                                       
CONECT    2   24   26   26   30                                       
CONECT    3    4    4   22   31                                       
CONECT    4    3    3    5   33                                       
CONECT    5    4    6    6   34                                       
CONECT    6    5    5   21   25                                       
CONECT    7    8   25   29   29                                       
CONECT    8    7    9   15   35                                       
CONECT    9    8   10   10   14                                       
CONECT   10    9    9   11   36                                       
CONECT   11   10   12   12   37                                       
CONECT   12   11   11   13   38                                       
CONECT   13   12   14   14   39                                       
CONECT   14    9   13   13   40                                       
CONECT   15    8   16   16   20                                       
CONECT   16   15   15   17   41                                       
CONECT   17   16   18   18   42                                       
CONECT   18   17   17   19   43                                       
CONECT   19   18   20   20   44                                       
CONECT   20   15   19   19   45                                       
CONECT   21    6   22   22   46                                       
CONECT   22    3   21   21   47                                       
CONECT   23    1    1   26   48                                       
CONECT   24    2   31   50                                            
CONECT   25    6    7   49                                            
CONECT   26    2    2   23                                            
CONECT   27   31   31                                                 
CONECT   28   31   31                                                 
CONECT   29    7    7                                                 
CONECT   30    1    2                                                 
CONECT   31    3   24   27   27                                       
CONECT   31   28   28                                                 
CONECT   32    1                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    8                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   25                                                      
CONECT   50   24                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
