COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.441   4.524  -1.566  1.00  0.00           O  
HETATM    2  C   UNL     1       1.608   4.324  -0.382  1.00  0.00           C  
HETATM    3  N   UNL     1       1.227   5.252   0.519  1.00  0.00           N  
HETATM    4  C   UNL     1       0.610   6.501   0.067  1.00  0.00           C  
HETATM    5  C   UNL     1       2.242   3.038   0.083  1.00  0.00           C  
HETATM    6  N   UNL     1       1.195   2.052   0.397  1.00  0.00           N  
HETATM    7  C   UNL     1       1.628   0.764   0.949  1.00  0.00           C  
HETATM    8  C   UNL     1       2.819   0.253   0.176  1.00  0.00           C  
HETATM    9  C   UNL     1       3.224  -1.054   0.404  1.00  0.00           C  
HETATM   10  C   UNL     1       4.325  -1.573  -0.258  1.00  0.00           C  
HETATM   11  N   UNL     1       4.730  -2.890  -0.024  1.00  0.00           N  
HETATM   12  S   UNL     1       6.333  -3.235   0.207  1.00  0.00           S  
HETATM   13  O   UNL     1       6.764  -2.551   1.496  1.00  0.00           O  
HETATM   14  O   UNL     1       6.393  -4.630   0.471  1.00  0.00           O  
HETATM   15  O   UNL     1       7.026  -2.565  -0.836  1.00  0.00           O  
HETATM   16  C   UNL     1       5.025  -0.776  -1.155  1.00  0.00           C  
HETATM   17  C   UNL     1       3.508   1.040  -0.720  1.00  0.00           C  
HETATM   18  C   UNL     1       3.115   2.461  -1.029  1.00  0.00           C  
HETATM   19  C   UNL     1       4.615   0.520  -1.382  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.108   2.321   0.185  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.432   3.350  -0.369  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.163   1.344   0.636  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.548   1.886   0.277  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.602   0.908   0.729  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.144   1.013   1.997  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.111   0.118   2.415  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.540  -0.884   1.567  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.998  -0.992   0.293  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.030  -0.088  -0.126  1.00  0.00           C  
HETATM   30  N   UNL     1      -5.430  -2.004  -0.568  1.00  0.00           N  
HETATM   31  S   UNL     1      -7.047  -2.325  -0.724  1.00  0.00           S  
HETATM   32  O   UNL     1      -7.696  -1.098  -1.348  1.00  0.00           O  
HETATM   33  O   UNL     1      -7.144  -3.353  -1.700  1.00  0.00           O  
HETATM   34  O   UNL     1      -7.555  -2.399   0.601  1.00  0.00           O  
HETATM   35  H   UNL     1       1.360   5.092   1.466  1.00  0.00           H  
HETATM   36  H   UNL     1       0.371   7.122   0.930  1.00  0.00           H  
HETATM   37  H   UNL     1       1.305   7.035  -0.583  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.303   6.278  -0.484  1.00  0.00           H  
HETATM   39  H   UNL     1       2.850   3.226   0.969  1.00  0.00           H  
HETATM   40  H   UNL     1       0.812   0.045   0.875  1.00  0.00           H  
HETATM   41  H   UNL     1       1.904   0.893   1.996  1.00  0.00           H  
HETATM   42  H   UNL     1       2.677  -1.671   1.102  1.00  0.00           H  
HETATM   43  H   UNL     1       4.072  -3.602   0.003  1.00  0.00           H  
HETATM   44  H   UNL     1       7.700  -2.758   1.623  1.00  0.00           H  
HETATM   45  H   UNL     1       5.886  -1.170  -1.674  1.00  0.00           H  
HETATM   46  H   UNL     1       2.561   2.484  -1.968  1.00  0.00           H  
HETATM   47  H   UNL     1       4.015   3.067  -1.130  1.00  0.00           H  
HETATM   48  H   UNL     1       5.159   1.138  -2.080  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.007   0.386   0.139  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.094   1.208   1.716  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.703   2.843   0.775  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.616   2.022  -0.802  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.810   1.796   2.662  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.532   0.203   3.406  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.295  -1.583   1.894  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.607  -0.169  -1.117  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.782  -2.519  -1.074  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.639  -1.295  -1.435  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    5                                       
CONECT    3    2    4   35                                            
CONECT    4    3   36   37   38                                       
CONECT    5    2    6   18   39                                       
CONECT    6    5    7   20                                            
CONECT    7    6    8   40   41                                       
CONECT    8    7    9   17   17                                       
CONECT    9    8   10   10   42                                       
CONECT   10    9    9   11   16                                       
CONECT   11   10   12   43                                            
CONECT   12   11   13   14   14                                       
CONECT   12   15   15                                                 
CONECT   13   12   44                                                 
CONECT   14   12   12                                                 
CONECT   15   12   12                                                 
CONECT   16   10   19   19   45                                       
CONECT   17    8    8   18   19                                       
CONECT   18    5   17   46   47                                       
CONECT   19   16   16   17   48                                       
CONECT   20    6   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   23   49   50                                       
CONECT   23   22   24   51   52                                       
CONECT   24   23   25   25   29                                       
CONECT   25   24   24   26   53                                       
CONECT   26   25   27   27   54                                       
CONECT   27   26   26   28   55                                       
CONECT   28   27   29   29   30                                       
CONECT   29   24   28   28   56                                       
CONECT   30   28   31   57                                            
CONECT   31   30   32   33   33                                       
CONECT   31   34   34                                                 
CONECT   32   31   58                                                 
CONECT   33   31   31                                                 
CONECT   34   31   31                                                 
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    7                                                      
CONECT   41    7                                                      
CONECT   42    9                                                      
CONECT   43   11                                                      
CONECT   44   13                                                      
CONECT   45   16                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   22                                                      
CONECT   50   22                                                      
CONECT   51   23                                                      
CONECT   52   23                                                      
CONECT   53   25                                                      
CONECT   54   26                                                      
CONECT   55   27                                                      
CONECT   56   29                                                      
CONECT   57   30                                                      
CONECT   58   32                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
