COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1       1.374   1.969  -0.970  1.00  0.00           S  
HETATM    2  C   UNL     1       2.774   1.661  -0.038  1.00  0.00           C  
HETATM    3  N   UNL     1       2.692   0.499   0.517  1.00  0.00           N1+
HETATM    4  C   UNL     1       1.604  -0.205   0.280  1.00  0.00           C  
HETATM    5  C   UNL     1       0.718   0.397  -0.519  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.608  -0.169  -0.958  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.692   0.234   0.044  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.949  -0.303  -0.372  1.00  0.00           O  
HETATM    9  P   UNL     1      -4.315  -0.075   0.449  1.00  0.00           P  
HETATM   10  P   UNL     1      -7.141  -0.484  -0.344  1.00  0.00           P  
HETATM   11  N   UNL     1       5.510  -1.529  -1.544  1.00  0.00           N  
HETATM   12  O   UNL     1      -4.540   1.375   0.640  1.00  0.00           O  
HETATM   13  O   UNL     1      -7.796  -1.119  -1.670  1.00  0.00           O  
HETATM   14  C   UNL     1       6.617  -1.972  -0.984  1.00  0.00           C  
HETATM   15  C   UNL     1       3.935   2.609   0.113  1.00  0.00           C  
HETATM   16  O   UNL     1       4.283   3.144  -1.166  1.00  0.00           O  
HETATM   17  C   UNL     1       3.544   3.750   1.054  1.00  0.00           C  
HETATM   18  O   UNL     1      -4.204  -0.794   1.885  1.00  0.00           O  
HETATM   19  O   UNL     1      -7.760  -1.203   0.957  1.00  0.00           O  
HETATM   20  N   UNL     1       6.855  -1.818   0.303  1.00  0.00           N  
HETATM   21  O   UNL     1      -5.547  -0.706  -0.373  1.00  0.00           O  
HETATM   22  O   UNL     1      -7.437   0.966  -0.294  1.00  0.00           O  
HETATM   23  C   UNL     1       5.975  -1.202   1.087  1.00  0.00           C  
HETATM   24  N   UNL     1       6.228  -1.042   2.440  1.00  0.00           N  
HETATM   25  C   UNL     1       4.791  -0.720   0.525  1.00  0.00           C  
HETATM   26  C   UNL     1       4.584  -0.905  -0.828  1.00  0.00           C  
HETATM   27  C   UNL     1       3.764  -0.016   1.374  1.00  0.00           C  
HETATM   28  C   UNL     1       7.639  -2.675  -1.839  1.00  0.00           C  
HETATM   29  C   UNL     1       1.377  -1.576   0.863  1.00  0.00           C  
HETATM   30  H   UNL     1      -0.861   0.221  -1.944  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.542  -1.257  -1.003  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.439  -0.156   1.030  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.758   1.321   0.089  1.00  0.00           H  
HETATM   34  H   UNL     1      -8.757  -1.022  -1.720  1.00  0.00           H  
HETATM   35  H   UNL     1       4.790   2.074   0.527  1.00  0.00           H  
HETATM   36  H   UNL     1       5.024   3.764  -1.145  1.00  0.00           H  
HETATM   37  H   UNL     1       4.384   4.436   1.163  1.00  0.00           H  
HETATM   38  H   UNL     1       2.689   4.285   0.640  1.00  0.00           H  
HETATM   39  H   UNL     1       3.279   3.342   2.029  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.056  -1.749   1.837  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.604  -2.156   0.991  1.00  0.00           H  
HETATM   42  H   UNL     1       7.090  -1.297   2.805  1.00  0.00           H  
HETATM   43  H   UNL     1       5.544  -0.674   3.021  1.00  0.00           H  
HETATM   44  H   UNL     1       3.681  -0.545  -1.297  1.00  0.00           H  
HETATM   45  H   UNL     1       4.236   0.812   1.903  1.00  0.00           H  
HETATM   46  H   UNL     1       3.346  -0.717   2.096  1.00  0.00           H  
HETATM   47  H   UNL     1       8.344  -1.945  -2.237  1.00  0.00           H  
HETATM   48  H   UNL     1       8.177  -3.406  -1.235  1.00  0.00           H  
HETATM   49  H   UNL     1       7.137  -3.183  -2.662  1.00  0.00           H  
HETATM   50  H   UNL     1       0.876  -1.483   1.827  1.00  0.00           H  
HETATM   51  H   UNL     1       0.754  -2.160   0.185  1.00  0.00           H  
HETATM   52  H   UNL     1       2.335  -2.077   0.998  1.00  0.00           H  
CONECT    1    2    5                                                 
CONECT    2    1   15    3    3                                       
CONECT    3    2    2   27    4                                       
CONECT    4    3    5    5   29                                       
CONECT    5    1    4    4    6                                       
CONECT    6    5    7   30   31                                       
CONECT    7    6    8   32   33                                       
CONECT    8    7    9                                                 
CONECT    9    8   21   12   12                                       
CONECT    9   18                                                      
CONECT   10   22   22   19   21                                       
CONECT   10   13                                                      
CONECT   11   14   14   26                                            
CONECT   12    9    9                                                 
CONECT   13   10   34                                                 
CONECT   14   11   11   20   28                                       
CONECT   15    2   16   17   35                                       
CONECT   16   15   36                                                 
CONECT   17   15   37   38   39                                       
CONECT   18    9   40                                                 
CONECT   19   10   41                                                 
CONECT   20   14   23   23                                            
CONECT   21    9   10                                                 
CONECT   22   10   10                                                 
CONECT   23   20   20   24   25                                       
CONECT   24   23   42   43                                            
CONECT   25   23   27   26   26                                       
CONECT   26   11   25   25   44                                       
CONECT   27    3   25   45   46                                       
CONECT   28   14   47   48   49                                       
CONECT   29    4   50   51   52                                       
CONECT   30    6                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34   13                                                      
CONECT   35   15                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   17                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   24                                                      
CONECT   43   24                                                      
CONECT   44   26                                                      
CONECT   45   27                                                      
CONECT   46   27                                                      
CONECT   47   28                                                      
CONECT   48   28                                                      
CONECT   49   28                                                      
CONECT   50   29                                                      
CONECT   51   29                                                      
CONECT   52   29                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
