COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.891   2.641  -0.134  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.484   1.312  -0.070  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.432   0.283  -0.046  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.785   0.609  -0.088  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.178   1.929  -0.152  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.237   2.945  -0.169  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.150   0.669  -0.014  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.426  -0.783   0.041  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.785  -0.944   0.020  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.480  -1.797   0.104  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.021  -1.679  -0.104  1.00  0.00           C  
HETATM   12  C   UNL     1       0.508  -2.968   0.061  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.526  -3.849   0.352  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.711  -3.217   0.396  1.00  0.00           C  
HETATM   15  C   UNL     1       0.817  -0.609  -0.404  1.00  0.00           C  
HETATM   16  C   UNL     1       2.175  -0.821  -0.540  1.00  0.00           C  
HETATM   17  C   UNL     1       2.700  -2.092  -0.377  1.00  0.00           C  
HETATM   18  C   UNL     1       1.877  -3.160  -0.079  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.789  -3.732   0.633  1.00  0.00           O  
HETATM   20  N   UNL     1      -0.984   1.256  -0.015  1.00  0.00           N  
HETATM   21  O   UNL     1      -0.902   2.668  -0.073  1.00  0.00           O  
HETATM   22  S   UNL     1       3.241   0.530  -0.920  1.00  0.00           S  
HETATM   23  O   UNL     1       4.398  -0.031  -1.524  1.00  0.00           O  
HETATM   24  O   UNL     1       2.433   1.513  -1.552  1.00  0.00           O  
HETATM   25  N   UNL     1       3.735   1.184   0.518  1.00  0.00           N  
HETATM   26  C   UNL     1       4.951   0.690   1.169  1.00  0.00           C  
HETATM   27  C   UNL     1       6.135   1.577   0.778  1.00  0.00           C  
HETATM   28  C   UNL     1       2.956   2.258   1.140  1.00  0.00           C  
HETATM   29  C   UNL     1       1.989   1.659   2.164  1.00  0.00           C  
HETATM   30  H   UNL     1      -3.156   3.433  -0.153  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.528  -0.175  -0.071  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.229   2.174  -0.184  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.556   3.976  -0.219  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.237  -1.802   0.046  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.407  -4.799   0.508  1.00  0.00           H  
HETATM   36  H   UNL     1       0.407   0.382  -0.531  1.00  0.00           H  
HETATM   37  H   UNL     1       3.763  -2.249  -0.485  1.00  0.00           H  
HETATM   38  H   UNL     1       2.299  -4.146   0.045  1.00  0.00           H  
HETATM   39  H   UNL     1       0.002   3.011  -0.069  1.00  0.00           H  
HETATM   40  H   UNL     1       4.820   0.715   2.251  1.00  0.00           H  
HETATM   41  H   UNL     1       5.143  -0.334   0.850  1.00  0.00           H  
HETATM   42  H   UNL     1       6.266   1.551  -0.304  1.00  0.00           H  
HETATM   43  H   UNL     1       5.943   2.601   1.097  1.00  0.00           H  
HETATM   44  H   UNL     1       7.040   1.209   1.262  1.00  0.00           H  
HETATM   45  H   UNL     1       3.630   2.953   1.641  1.00  0.00           H  
HETATM   46  H   UNL     1       2.391   2.788   0.374  1.00  0.00           H  
HETATM   47  H   UNL     1       1.315   0.964   1.664  1.00  0.00           H  
HETATM   48  H   UNL     1       2.554   1.129   2.931  1.00  0.00           H  
HETATM   49  H   UNL     1       1.410   2.458   2.627  1.00  0.00           H  
CONECT    1    2    6    6   30                                       
CONECT    2    1    3    3    7                                       
CONECT    3    2    2    9    4                                       
CONECT    4    3    5    5   31                                       
CONECT    5    4    4    6   32                                       
CONECT    6    1    1    5   33                                       
CONECT    7    2    8   20   20                                       
CONECT    8    7   10   10    9                                       
CONECT    9    3    8   34                                            
CONECT   10    8    8   11   14                                       
CONECT   11   10   12   15   15                                       
CONECT   12   11   13   18   18                                       
CONECT   13   12   14   35                                            
CONECT   14   10   13   19   19                                       
CONECT   15   11   11   16   36                                       
CONECT   16   15   17   17   22                                       
CONECT   17   16   16   18   37                                       
CONECT   18   12   12   17   38                                       
CONECT   19   14   14                                                 
CONECT   20    7    7   21                                            
CONECT   21   20   39                                                 
CONECT   22   16   23   23   24                                       
CONECT   22   24   25                                                 
CONECT   23   22   22                                                 
CONECT   24   22   22                                                 
CONECT   25   22   26   28                                            
CONECT   26   25   27   40   41                                       
CONECT   27   26   42   43   44                                       
CONECT   28   25   29   45   46                                       
CONECT   29   28   47   48   49                                       
CONECT   30    1                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    9                                                      
CONECT   35   13                                                      
CONECT   36   15                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   21                                                      
CONECT   40   26                                                      
CONECT   41   26                                                      
CONECT   42   27                                                      
CONECT   43   27                                                      
CONECT   44   27                                                      
CONECT   45   28                                                      
CONECT   46   28                                                      
CONECT   47   29                                                      
CONECT   48   29                                                      
CONECT   49   29                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
