COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.788   1.704  -1.591  1.00  0.00           C  
HETATM    2  C   UNL     1       6.336   2.837  -2.164  1.00  0.00           C  
HETATM    3  C   UNL     1       6.551   3.966  -1.395  1.00  0.00           C  
HETATM    4  C   UNL     1       6.217   3.962  -0.054  1.00  0.00           C  
HETATM    5  C   UNL     1       5.669   2.830   0.519  1.00  0.00           C  
HETATM    6  C   UNL     1       5.449   1.703  -0.250  1.00  0.00           C  
HETATM    7  C   UNL     1       4.851   0.469   0.374  1.00  0.00           C  
HETATM    8  C   UNL     1       3.326   0.529   0.264  1.00  0.00           C  
HETATM    9  N   UNL     1       2.821   1.653   1.063  1.00  0.00           N  
HETATM   10  C   UNL     1       2.734  -0.758   0.776  1.00  0.00           C  
HETATM   11  O   UNL     1       2.275  -0.810   1.898  1.00  0.00           O  
HETATM   12  N   UNL     1       2.714  -1.852  -0.011  1.00  0.00           N  
HETATM   13  S   UNL     1       2.064  -3.266   0.552  1.00  0.00           S  
HETATM   14  O   UNL     1       2.161  -4.204  -0.511  1.00  0.00           O  
HETATM   15  O   UNL     1       2.631  -3.486   1.837  1.00  0.00           O  
HETATM   16  O   UNL     1       0.578  -3.022   0.775  1.00  0.00           O  
HETATM   17  C   UNL     1      -0.190  -2.972  -0.429  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.660  -2.723  -0.086  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.815  -1.410   0.477  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.513  -2.774  -1.369  1.00  0.00           C  
HETATM   21  O   UNL     1      -3.496  -3.807  -1.275  1.00  0.00           O  
HETATM   22  C   UNL     1      -3.192  -1.384  -1.429  1.00  0.00           C  
HETATM   23  O   UNL     1      -4.555  -1.500  -1.843  1.00  0.00           O  
HETATM   24  C   UNL     1      -3.100  -0.914   0.045  1.00  0.00           C  
HETATM   25  N   UNL     1      -3.143   0.548   0.124  1.00  0.00           N  
HETATM   26  C   UNL     1      -2.070   1.389   0.092  1.00  0.00           C  
HETATM   27  N   UNL     1      -2.471   2.624   0.184  1.00  0.00           N  
HETATM   28  C   UNL     1      -3.822   2.653   0.281  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.269   1.322   0.238  1.00  0.00           C  
HETATM   30  N   UNL     1      -5.574   1.077   0.310  1.00  0.00           N  
HETATM   31  C   UNL     1      -6.437   2.065   0.417  1.00  0.00           C  
HETATM   32  N   UNL     1      -6.064   3.331   0.459  1.00  0.00           N  
HETATM   33  C   UNL     1      -4.781   3.673   0.401  1.00  0.00           C  
HETATM   34  N   UNL     1      -4.400   5.003   0.444  1.00  0.00           N  
HETATM   35  H   UNL     1       5.621   0.822  -2.191  1.00  0.00           H  
HETATM   36  H   UNL     1       6.597   2.839  -3.212  1.00  0.00           H  
HETATM   37  H   UNL     1       6.980   4.850  -1.843  1.00  0.00           H  
HETATM   38  H   UNL     1       6.386   4.844   0.547  1.00  0.00           H  
HETATM   39  H   UNL     1       5.409   2.827   1.567  1.00  0.00           H  
HETATM   40  H   UNL     1       5.218  -0.416  -0.146  1.00  0.00           H  
HETATM   41  H   UNL     1       5.137   0.418   1.425  1.00  0.00           H  
HETATM   42  H   UNL     1       3.043   0.669  -0.780  1.00  0.00           H  
HETATM   43  H   UNL     1       1.823   1.754   0.956  1.00  0.00           H  
HETATM   44  H   UNL     1       3.071   1.546   2.035  1.00  0.00           H  
HETATM   45  H   UNL     1       3.081  -1.810  -0.908  1.00  0.00           H  
HETATM   46  H   UNL     1       0.178  -2.164  -1.061  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.096  -3.920  -0.959  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.008  -3.474   0.623  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.879  -2.927  -2.243  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.061  -3.885  -2.056  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.643  -0.711  -2.087  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.666  -1.876  -2.727  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.901  -1.355   0.639  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.040   1.076   0.004  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.490   1.831   0.473  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.462   5.240   0.391  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.073   5.697   0.527  1.00  0.00           H  
CONECT    1    2    2    6   35                                       
CONECT    2    3    1    1   36                                       
CONECT    3    4    4    2   37                                       
CONECT    4    3    3    5   38                                       
CONECT    5    4    6    6   39                                       
CONECT    6    5    5    1    7                                       
CONECT    7    6    8   40   41                                       
CONECT    8    7    9   10   42                                       
CONECT    9    8   43   44                                            
CONECT   10    8   12   11   11                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   45                                            
CONECT   13   12   15   15   14                                       
CONECT   13   14   16                                                 
CONECT   14   13   13                                                 
CONECT   15   13   13                                                 
CONECT   16   13   17                                                 
CONECT   17   16   18   46   47                                       
CONECT   18   17   20   19   48                                       
CONECT   19   18   24                                                 
CONECT   20   21   18   22   49                                       
CONECT   21   20   50                                                 
CONECT   22   20   23   24   51                                       
CONECT   23   22   52                                                 
CONECT   24   19   22   25   53                                       
CONECT   25   26   24   29                                            
CONECT   26   27   27   25   54                                       
CONECT   27   26   26   28                                            
CONECT   28   27   29   29   33                                       
CONECT   29   25   28   28   30                                       
CONECT   30   29   31   31                                            
CONECT   31   30   30   32   55                                       
CONECT   32   33   33   31                                            
CONECT   33   28   34   32   32                                       
CONECT   34   33   56   57                                            
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    7                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45   12                                                      
CONECT   46   17                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   20                                                      
CONECT   50   21                                                      
CONECT   51   22                                                      
CONECT   52   23                                                      
CONECT   53   24                                                      
CONECT   54   26                                                      
CONECT   55   31                                                      
CONECT   56   34                                                      
CONECT   57   34                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
