COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.664   1.714   0.180  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.882   1.483   1.222  1.00  0.00           N  
HETATM    3  S   UNL     1      -0.951   2.708   1.452  1.00  0.00           S  
HETATM    4  N   UNL     1      -1.423   3.634   0.294  1.00  0.00           N  
HETATM    5  C   UNL     1      -2.383   3.030  -0.389  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.127   3.452  -1.519  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.075   2.639  -2.046  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.343   1.382  -1.503  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.672   0.919  -0.420  1.00  0.00           C  
HETATM   10  S   UNL     1      -4.049  -0.672   0.237  1.00  0.00           S  
HETATM   11  O   UNL     1      -4.157  -0.509   1.645  1.00  0.00           O  
HETATM   12  O   UNL     1      -5.096  -1.200  -0.567  1.00  0.00           O  
HETATM   13  N   UNL     1      -2.728  -1.635  -0.023  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.467  -1.351   0.666  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.092  -2.538   1.555  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.116  -2.673   2.684  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.084  -3.819   0.718  1.00  0.00           C  
HETATM   18  P   UNL     1      -0.151  -1.074  -0.565  1.00  0.00           P  
HETATM   19  O   UNL     1      -0.450   0.285  -1.374  1.00  0.00           O  
HETATM   20  O   UNL     1      -0.112  -2.213  -1.510  1.00  0.00           O  
HETATM   21  C   UNL     1       1.456  -0.935   0.284  1.00  0.00           C  
HETATM   22  C   UNL     1       2.574  -0.830  -0.754  1.00  0.00           C  
HETATM   23  C   UNL     1       2.815  -2.183  -1.372  1.00  0.00           C  
HETATM   24  O   UNL     1       2.159  -3.134  -1.018  1.00  0.00           O  
HETATM   25  O   UNL     1       3.758  -2.332  -2.316  1.00  0.00           O  
HETATM   26  C   UNL     1       3.837  -0.351  -0.086  1.00  0.00           C  
HETATM   27  C   UNL     1       4.430   0.830  -0.492  1.00  0.00           C  
HETATM   28  C   UNL     1       4.400  -1.090   0.937  1.00  0.00           C  
HETATM   29  C   UNL     1       5.559  -0.651   1.551  1.00  0.00           C  
HETATM   30  C   UNL     1       6.155   0.527   1.140  1.00  0.00           C  
HETATM   31  C   UNL     1       5.588   1.269   0.121  1.00  0.00           C  
HETATM   32  C   UNL     1       6.234   2.557  -0.323  1.00  0.00           C  
HETATM   33  N   UNL     1       5.688   3.673   0.460  1.00  0.00           N  
HETATM   34  H   UNL     1      -2.940   4.421  -1.959  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.635   2.972  -2.906  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.106   0.766  -1.954  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.789  -2.388  -0.632  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.582  -0.459   1.281  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.102  -2.376   1.980  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.098  -2.885   2.261  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.822  -3.488   3.346  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.158  -1.742   3.249  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.228  -3.807   0.043  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.015  -4.684   1.378  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.004  -3.879   0.137  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.490   1.074  -0.817  1.00  0.00           H  
HETATM   47  H   UNL     1       1.459  -0.044   0.913  1.00  0.00           H  
HETATM   48  H   UNL     1       1.617  -1.817   0.904  1.00  0.00           H  
HETATM   49  H   UNL     1       2.284  -0.122  -1.531  1.00  0.00           H  
HETATM   50  H   UNL     1       3.876  -3.219  -2.683  1.00  0.00           H  
HETATM   51  H   UNL     1       3.987   1.410  -1.289  1.00  0.00           H  
HETATM   52  H   UNL     1       3.935  -2.010   1.258  1.00  0.00           H  
HETATM   53  H   UNL     1       5.999  -1.228   2.351  1.00  0.00           H  
HETATM   54  H   UNL     1       7.060   0.870   1.619  1.00  0.00           H  
HETATM   55  H   UNL     1       7.311   2.495  -0.167  1.00  0.00           H  
HETATM   56  H   UNL     1       6.029   2.720  -1.381  1.00  0.00           H  
HETATM   57  H   UNL     1       5.808   3.514   1.449  1.00  0.00           H  
HETATM   58  H   UNL     1       6.106   4.549   0.182  1.00  0.00           H  
CONECT    1    2    2    5    9                                       
CONECT    2    1    1    3                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    5                                            
CONECT    5    1    4    4    6                                       
CONECT    6    5    7    7   34                                       
CONECT    7    6    6    8   35                                       
CONECT    8    7    9    9   36                                       
CONECT    9    1    8    8   10                                       
CONECT   10    9   12   12   13                                       
CONECT   10   11   11                                                 
CONECT   11   10   10                                                 
CONECT   12   10   10                                                 
CONECT   13   10   14   37                                            
CONECT   14   13   18   15   38                                       
CONECT   15   14   16   17   39                                       
CONECT   16   15   40   41   42                                       
CONECT   17   15   43   44   45                                       
CONECT   18   14   21   20   20                                       
CONECT   18   19                                                      
CONECT   19   18   46                                                 
CONECT   20   18   18                                                 
CONECT   21   18   22   47   48                                       
CONECT   22   21   26   23   49                                       
CONECT   23   22   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   50                                                 
CONECT   26   22   28   28   27                                       
CONECT   27   26   31   31   51                                       
CONECT   28   26   26   29   52                                       
CONECT   29   28   30   30   53                                       
CONECT   30   29   29   31   54                                       
CONECT   31   27   27   30   32                                       
CONECT   32   31   33   55   56                                       
CONECT   33   32   57   58                                            
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   19                                                      
CONECT   47   21                                                      
CONECT   48   21                                                      
CONECT   49   22                                                      
CONECT   50   25                                                      
CONECT   51   27                                                      
CONECT   52   28                                                      
CONECT   53   29                                                      
CONECT   54   30                                                      
CONECT   55   32                                                      
CONECT   56   32                                                      
CONECT   57   33                                                      
CONECT   58   33                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
