COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.074  -2.604   0.291  1.00  0.00           C  
HETATM    2  C   UNL     1       4.180  -1.471   2.219  1.00  0.00           C  
HETATM    3  C   UNL     1       0.711  -1.992  -1.232  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.974  -0.331  -0.735  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.040  -2.111   0.074  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.985  -1.980   1.280  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.054  -0.493   1.549  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.160   1.552   0.673  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.645   1.601   2.550  1.00  0.00           C  
HETATM   10  C   UNL     1       3.441   3.789   0.007  1.00  0.00           C  
HETATM   11  C   UNL     1       4.048   2.857  -0.825  1.00  0.00           C  
HETATM   12  C   UNL     1       3.393   1.688  -1.146  1.00  0.00           C  
HETATM   13  C   UNL     1       2.117   1.440  -0.633  1.00  0.00           C  
HETATM   14  C   UNL     1       1.413   0.191  -0.972  1.00  0.00           C  
HETATM   15  C   UNL     1       1.778  -1.070  -0.634  1.00  0.00           C  
HETATM   16  C   UNL     1       2.960  -1.472   0.149  1.00  0.00           C  
HETATM   17  C   UNL     1       3.970  -2.232  -0.446  1.00  0.00           C  
HETATM   18  C   UNL     1       5.182  -2.226   1.623  1.00  0.00           C  
HETATM   19  C   UNL     1       3.073  -1.093   1.490  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.556  -1.775  -0.348  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.255   0.159   0.623  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.851   2.262   1.630  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.745   0.223   2.507  1.00  0.00           C  
HETATM   24  C   UNL     1       0.119   0.052  -1.780  1.00  0.00           C  
HETATM   25  C   UNL     1       1.511   2.381   0.205  1.00  0.00           C  
HETATM   26  C   UNL     1       2.175   3.545   0.524  1.00  0.00           C  
HETATM   27  N   UNL     1      -3.645  -0.738  -0.255  1.00  0.00           N  
HETATM   28  O   UNL     1       4.091   4.940   0.321  1.00  0.00           O  
HETATM   29  O   UNL     1       6.272  -2.596   2.345  1.00  0.00           O  
HETATM   30  O   UNL     1      -3.008   1.013  -1.819  1.00  0.00           O  
HETATM   31  O   UNL     1      -2.754  -1.371  -2.429  1.00  0.00           O  
HETATM   32  O   UNL     1       0.346  -1.240  -2.438  1.00  0.00           O  
HETATM   33  S   UNL     1      -2.625  -0.314  -1.488  1.00  0.00           S  
HETATM   34  H   UNL     1       5.853  -3.195  -0.167  1.00  0.00           H  
HETATM   35  H   UNL     1       4.269  -1.179   3.255  1.00  0.00           H  
HETATM   36  H   UNL     1       1.012  -3.030  -1.377  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.936   0.331   0.130  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.165  -2.702   0.342  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.561  -2.568  -0.767  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.973  -2.368   1.032  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.576  -2.506   2.142  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.542   2.074  -0.042  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.186   2.160   3.299  1.00  0.00           H  
HETATM   44  H   UNL     1       5.034   3.049  -1.222  1.00  0.00           H  
HETATM   45  H   UNL     1       3.865   0.964  -1.794  1.00  0.00           H  
HETATM   46  H   UNL     1       3.887  -2.526  -1.482  1.00  0.00           H  
HETATM   47  H   UNL     1       2.294  -0.507   1.955  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.338  -2.489  -0.606  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.308  -1.837   0.712  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.773   3.339   1.663  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.365  -0.295   3.224  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.124   0.894  -2.429  1.00  0.00           H  
HETATM   53  H   UNL     1       0.525   2.194   0.604  1.00  0.00           H  
HETATM   54  H   UNL     1       1.708   4.273   1.172  1.00  0.00           H  
HETATM   55  H   UNL     1       3.920   5.668  -0.292  1.00  0.00           H  
HETATM   56  H   UNL     1       7.001  -1.961   2.310  1.00  0.00           H  
CONECT    1   17   17   18   34                                       
CONECT    2   18   18   19   35                                       
CONECT    3   20   15   32   36                                       
CONECT    4   20   33   24   37                                       
CONECT    5   27    6   38   39                                       
CONECT    6    5    7   40   41                                       
CONECT    7   21   21   23    6                                       
CONECT    8   22   22   21   42                                       
CONECT    9   22   23   23   43                                       
CONECT   10   11   11   26   28                                       
CONECT   11   12   10   10   44                                       
CONECT   12   13   13   11   45                                       
CONECT   13   14   12   12   25                                       
CONECT   14   15   15   24   13                                       
CONECT   15    3   16   14   14                                       
CONECT   16   17   15   19   19                                       
CONECT   17    1    1   16   46                                       
CONECT   18    1   29    2    2                                       
CONECT   19   16   16    2   47                                       
CONECT   20    3    4   48   49                                       
CONECT   21    8   27    7    7                                       
CONECT   22    8    8    9   50                                       
CONECT   23    9    9    7   51                                       
CONECT   24   32    4   14   52                                       
CONECT   25   13   26   26   53                                       
CONECT   26   25   25   10   54                                       
CONECT   27   33   21    5                                            
CONECT   28   10   55                                                 
CONECT   29   18   56                                                 
CONECT   30   33   33                                                 
CONECT   31   33   33                                                 
CONECT   32    3   24                                                 
CONECT   33   30   30    4   31                                       
CONECT   33   31   27                                                 
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   17                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   20                                                      
CONECT   50   22                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
CONECT   54   26                                                      
CONECT   55   28                                                      
CONECT   56   29                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
