COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.875   2.460   0.508  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.256   0.901  -0.818  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.086   0.312  -2.070  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.095  -0.459  -2.610  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.274  -0.647  -1.912  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.449  -0.065  -0.669  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.445   0.703  -0.117  1.00  0.00           C  
HETATM    8  C   UNL     1       3.240   2.389   0.749  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.236  -1.546   2.509  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.115  -2.981   0.610  1.00  0.00           C  
HETATM   11  C   UNL     1       5.440  -0.889  -0.123  1.00  0.00           C  
HETATM   12  C   UNL     1       6.256  -2.130  -0.374  1.00  0.00           C  
HETATM   13  C   UNL     1       7.722  -2.113   0.063  1.00  0.00           C  
HETATM   14  C   UNL     1       6.700  -2.943   0.844  1.00  0.00           C  
HETATM   15  C   UNL     1       3.359   0.259  -0.158  1.00  0.00           C  
HETATM   16  C   UNL     1       2.003   0.244  -0.442  1.00  0.00           C  
HETATM   17  C   UNL     1       1.239   1.361  -0.106  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.176   1.729  -0.232  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.303   2.975   0.291  1.00  0.00           C  
HETATM   20  N   UNL     1       4.143  -0.850  -0.486  1.00  0.00           N  
HETATM   21  N   UNL     1      -4.761  -1.664   1.146  1.00  0.00           N  
HETATM   22  N   UNL     1       3.924   1.313   0.416  1.00  0.00           N  
HETATM   23  N   UNL     1       0.909   3.417   0.733  1.00  0.00           N  
HETATM   24  O   UNL     1      -5.076   0.783   1.112  1.00  0.00           O  
HETATM   25  O   UNL     1      -5.941  -0.631  -0.759  1.00  0.00           O  
HETATM   26  O   UNL     1       5.951   0.075   0.407  1.00  0.00           O  
HETATM   27  S   UNL     1      -4.955  -0.310   0.213  1.00  0.00           S  
HETATM   28  H   UNL     1      -0.166   0.458  -2.616  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.964  -0.915  -3.580  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.063  -1.248  -2.340  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.582   1.157   0.854  1.00  0.00           H  
HETATM   32  H   UNL     1       3.745   3.223   1.214  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.898  -0.911   3.099  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.180  -2.534   2.964  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.241  -1.103   2.477  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.159  -3.197   0.835  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.969  -2.984  -0.470  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.480  -3.741   1.065  1.00  0.00           H  
HETATM   39  H   UNL     1       6.008  -2.680  -1.283  1.00  0.00           H  
HETATM   40  H   UNL     1       8.439  -2.651  -0.557  1.00  0.00           H  
HETATM   41  H   UNL     1       8.096  -1.204   0.533  1.00  0.00           H  
HETATM   42  H   UNL     1       6.402  -2.579   1.827  1.00  0.00           H  
HETATM   43  H   UNL     1       6.744  -4.027   0.737  1.00  0.00           H  
HETATM   44  H   UNL     1       1.548  -0.614  -0.913  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.226   3.533   0.349  1.00  0.00           H  
HETATM   46  H   UNL     1       3.754  -1.591  -0.975  1.00  0.00           H  
HETATM   47  H   UNL     1       1.069   4.282   1.142  1.00  0.00           H  
CONECT    1   17   23    8    8                                       
CONECT    2    7    7    3   18                                       
CONECT    3    4    4    2   28                                       
CONECT    4    5    3    3   29                                       
CONECT    5    6    6    4   30                                       
CONECT    6   27    5    5    7                                       
CONECT    7    6    2    2   31                                       
CONECT    8    1    1   22   32                                       
CONECT    9   21   33   34   35                                       
CONECT   10   21   36   37   38                                       
CONECT   11   26   26   12   20                                       
CONECT   12   13   14   11   39                                       
CONECT   13   14   12   40   41                                       
CONECT   14   13   12   42   43                                       
CONECT   15   16   20   22   22                                       
CONECT   16   17   17   15   44                                       
CONECT   17   18   16   16    1                                       
CONECT   18    2   17   19   19                                       
CONECT   19   18   18   23   45                                       
CONECT   20   11   15   46                                            
CONECT   21    9   27   10                                            
CONECT   22   15   15    8                                            
CONECT   23   19    1   47                                            
CONECT   24   27   27                                                 
CONECT   25   27   27                                                 
CONECT   26   11   11                                                 
CONECT   27   25   25   21   24                                       
CONECT   27   24    6                                                 
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   16                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   23                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
