COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.475  -1.740   0.964  1.00  0.00           C  
HETATM    2  C   UNL     1       0.492  -0.364   2.283  1.00  0.00           C  
HETATM    3  C   UNL     1       1.247  -0.753   1.011  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.568   1.834   0.165  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.484   0.111  -0.469  1.00  0.00           C  
HETATM    6  N   UNL     1      -3.138   1.681   0.430  1.00  0.00           N  
HETATM    7  P   UNL     1      -2.110   0.406   0.815  1.00  0.00           P  
HETATM    8  O   UNL     1      -2.919  -0.700   1.661  1.00  0.00           O  
HETATM    9  O   UNL     1      -1.594  -0.206  -0.430  1.00  0.00           O  
HETATM   10  S   UNL     1      -0.488   1.131   1.972  1.00  0.00           S  
HETATM   11  C   UNL     1       1.990  -2.085   1.229  1.00  0.00           C  
HETATM   12  C   UNL     1       3.362  -0.446   0.119  1.00  0.00           C  
HETATM   13  O   UNL     1       2.238   0.243   0.706  1.00  0.00           O  
HETATM   14  N   UNL     1       4.581   0.358   0.240  1.00  0.00           N  
HETATM   15  C   UNL     1       4.783   1.390   1.109  1.00  0.00           C  
HETATM   16  N   UNL     1       5.981   1.873   0.940  1.00  0.00           N  
HETATM   17  C   UNL     1       6.605   1.180  -0.041  1.00  0.00           C  
HETATM   18  C   UNL     1       5.720   0.207  -0.489  1.00  0.00           C  
HETATM   19  N   UNL     1       6.119  -0.639  -1.492  1.00  0.00           N  
HETATM   20  C   UNL     1       7.358  -0.526  -2.039  1.00  0.00           C  
HETATM   21  N   UNL     1       8.226   0.380  -1.643  1.00  0.00           N  
HETATM   22  C   UNL     1       7.930   1.250  -0.665  1.00  0.00           C  
HETATM   23  N   UNL     1       7.717  -1.390  -3.039  1.00  0.00           N  
HETATM   24  O   UNL     1       8.744   2.087  -0.307  1.00  0.00           O  
HETATM   25  O   UNL     1       1.532  -3.070   0.300  1.00  0.00           O  
HETATM   26  O   UNL     1       4.116  -2.780   0.223  1.00  0.00           O  
HETATM   27  C   UNL     1      -4.277   1.215  -0.373  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.736   1.356  -0.659  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.288   1.990  -1.705  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.479   0.100  -1.463  1.00  0.00           C  
HETATM   31  N   UNL     1      -8.329   1.253  -2.201  1.00  0.00           N  
HETATM   32  C   UNL     1      -7.391  -0.949   0.435  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.264  -1.996   0.345  1.00  0.00           C  
HETATM   34  C   UNL     1      -9.244  -2.014  -0.639  1.00  0.00           C  
HETATM   35  C   UNL     1      -9.362  -0.972  -1.532  1.00  0.00           C  
HETATM   36  H   UNL     1       4.003  -1.549   1.899  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.171  -1.178   2.576  1.00  0.00           H  
HETATM   38  H   UNL     1       1.205  -0.170   3.084  1.00  0.00           H  
HETATM   39  H   UNL     1       0.548  -0.849   0.180  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.709   1.535   1.204  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.502   2.921   0.106  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.453   2.156   1.262  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.287  -0.368   2.491  1.00  0.00           H  
HETATM   44  H   UNL     1       1.855  -2.434   2.253  1.00  0.00           H  
HETATM   45  H   UNL     1       3.162  -0.686  -0.925  1.00  0.00           H  
HETATM   46  H   UNL     1       4.061   1.751   1.826  1.00  0.00           H  
HETATM   47  H   UNL     1       5.511  -1.323  -1.815  1.00  0.00           H  
HETATM   48  H   UNL     1       7.092  -2.065  -3.344  1.00  0.00           H  
HETATM   49  H   UNL     1       8.597  -1.326  -3.441  1.00  0.00           H  
HETATM   50  H   UNL     1       2.006  -3.912   0.354  1.00  0.00           H  
HETATM   51  H   UNL     1       4.131  -3.634   0.676  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.343   0.128  -0.314  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.135   1.514  -1.412  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.957   2.940  -2.099  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.881   1.507  -2.957  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.631  -0.942   1.202  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.192  -2.816   1.044  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.927  -2.849  -0.697  1.00  0.00           H  
HETATM   59  H   UNL     1     -10.131  -0.993  -2.290  1.00  0.00           H  
CONECT    1   12   26   11   36                                       
CONECT    2    3   10   37   38                                       
CONECT    3   13   11    2   39                                       
CONECT    4   28   27   40   41                                       
CONECT    5   28   30   30   32                                       
CONECT    6    7   27   42                                            
CONECT    7   10    9    9    6                                       
CONECT    7    8                                                      
CONECT    8    7   43                                                 
CONECT    9    7    7                                                 
CONECT   10    2    7                                                 
CONECT   11    1    3   25   44                                       
CONECT   12   14    1   13   45                                       
CONECT   13   12    3                                                 
CONECT   14   18   15   12                                            
CONECT   15   16   16   14   46                                       
CONECT   16   17   15   15                                            
CONECT   17   22   16   18   18                                       
CONECT   18   17   17   19   14                                       
CONECT   19   20   18   47                                            
CONECT   20   21   21   23   19                                       
CONECT   21   22   20   20                                            
CONECT   22   24   24   21   17                                       
CONECT   23   20   48   49                                            
CONECT   24   22   22                                                 
CONECT   25   11   50                                                 
CONECT   26    1   51                                                 
CONECT   27    4    6   52   53                                       
CONECT   28   29   29    4    5                                       
CONECT   29   31   28   28   54                                       
CONECT   30   31    5    5   35                                       
CONECT   31   29   30   55                                            
CONECT   32    5   33   33   56                                       
CONECT   33   32   32   34   57                                       
CONECT   34   35   35   33   58                                       
CONECT   35   30   34   34   59                                       
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    6                                                      
CONECT   43    8                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   15                                                      
CONECT   47   19                                                      
CONECT   48   23                                                      
CONECT   49   23                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
CONECT   53   27                                                      
CONECT   54   29                                                      
CONECT   55   31                                                      
CONECT   56   32                                                      
CONECT   57   33                                                      
CONECT   58   34                                                      
CONECT   59   35                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
