COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       7.062  -0.445  -1.758  1.00  0.00           O  
HETATM    2  S   UNL     1       7.226   0.662  -0.881  1.00  0.00           S  
HETATM    3  O   UNL     1       8.496   0.978  -0.329  1.00  0.00           O  
HETATM    4  C   UNL     1       6.446   2.145  -1.575  1.00  0.00           C  
HETATM    5  N   UNL     1       6.293   0.282   0.434  1.00  0.00           N  
HETATM    6  C   UNL     1       4.961  -0.108   0.257  1.00  0.00           C  
HETATM    7  C   UNL     1       4.629  -1.025  -0.733  1.00  0.00           C  
HETATM    8  C   UNL     1       3.319  -1.411  -0.919  1.00  0.00           C  
HETATM    9  C   UNL     1       3.965   0.419   1.076  1.00  0.00           C  
HETATM   10  C   UNL     1       2.664   0.031   0.895  1.00  0.00           C  
HETATM   11  C   UNL     1       2.310  -0.880  -0.109  1.00  0.00           C  
HETATM   12  N   UNL     1       1.016  -1.255  -0.289  1.00  0.00           N  
HETATM   13  S   UNL     1       1.368   0.651   1.929  1.00  0.00           S  
HETATM   14  O   UNL     1       1.261  -0.233   3.036  1.00  0.00           O  
HETATM   15  O   UNL     1       1.573   2.052   2.056  1.00  0.00           O  
HETATM   16  N   UNL     1      -0.005   0.439   1.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.044  -0.695   0.206  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.355  -1.303  -0.080  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.658  -2.543   0.397  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.774  -3.205   1.164  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.986  -3.170   0.061  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.065  -2.095  -0.035  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.346  -2.712  -0.601  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.867  -3.779   0.364  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.353  -0.576  -0.878  1.00  0.00           C  
HETATM   26  O   UNL     1      -2.028   0.410  -1.513  1.00  0.00           O  
HETATM   27  N   UNL     1      -3.627  -1.007  -0.909  1.00  0.00           N  
HETATM   28  C   UNL     1      -4.585  -0.377  -1.821  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.181   0.840  -1.162  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.641   2.090  -1.402  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.186   3.207  -0.799  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.270   0.707  -0.321  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.818   1.823   0.283  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.274   3.074   0.047  1.00  0.00           C  
HETATM   35  F   UNL     1      -6.808   4.165   0.638  1.00  0.00           F  
HETATM   36  H   UNL     1       5.419   1.917  -1.858  1.00  0.00           H  
HETATM   37  H   UNL     1       6.450   2.940  -0.830  1.00  0.00           H  
HETATM   38  H   UNL     1       7.002   2.469  -2.455  1.00  0.00           H  
HETATM   39  H   UNL     1       6.670   0.329   1.326  1.00  0.00           H  
HETATM   40  H   UNL     1       5.404  -1.439  -1.361  1.00  0.00           H  
HETATM   41  H   UNL     1       3.072  -2.124  -1.691  1.00  0.00           H  
HETATM   42  H   UNL     1       4.218   1.128   1.850  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.735   1.077   1.014  1.00  0.00           H  
HETATM   44  H   UNL     1       0.030  -2.732   1.416  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.909  -3.691  -0.894  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.256  -3.884   0.839  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.266  -1.696   0.959  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.100  -1.935  -0.726  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.133  -3.170  -1.567  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.827  -4.154   0.008  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.153  -4.601   0.418  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.994  -3.342   1.355  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.074  -0.081  -2.737  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.378  -1.086  -2.060  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.792   2.193  -2.062  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.764   4.183  -0.986  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.694  -0.269  -0.138  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.669   1.718   0.939  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    3                                       
CONECT    2    4    5                                                 
CONECT    3    2    2                                                 
CONECT    4    2   36   37   38                                       
CONECT    5    2    6   39                                            
CONECT    6    5    7    7    9                                       
CONECT    7    6    6    8   40                                       
CONECT    8    7   11   11   41                                       
CONECT    9    6   10   10   42                                       
CONECT   10    9    9   11   13                                       
CONECT   11    8    8   10   12                                       
CONECT   12   11   17   17                                            
CONECT   13   10   14   14   15                                       
CONECT   13   15   16                                                 
CONECT   14   13   13                                                 
CONECT   15   13   13                                                 
CONECT   16   13   17   43                                            
CONECT   17   12   12   16   18                                       
CONECT   18   17   19   19   25                                       
CONECT   19   18   18   20   21                                       
CONECT   20   19   44                                                 
CONECT   21   19   22   45   46                                       
CONECT   22   21   23   27   47                                       
CONECT   23   22   24   48   49                                       
CONECT   24   23   50   51   52                                       
CONECT   25   18   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   22   25   28                                            
CONECT   28   27   29   53   54                                       
CONECT   29   28   30   30   32                                       
CONECT   30   29   29   31   55                                       
CONECT   31   30   34   34   56                                       
CONECT   32   29   33   33   57                                       
CONECT   33   32   32   34   58                                       
CONECT   34   31   31   33   35                                       
CONECT   35   34                                                      
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43   16                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   24                                                      
CONECT   52   24                                                      
CONECT   53   28                                                      
CONECT   54   28                                                      
CONECT   55   30                                                      
CONECT   56   31                                                      
CONECT   57   32                                                      
CONECT   58   33                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
