COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.283   0.639  -0.141  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.406   1.721   0.154  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.042   0.490   0.059  1.00  0.00           C  
HETATM    4  O   UNL     1      -6.395   0.418   0.152  1.00  0.00           O  
HETATM    5  C   UNL     1      -6.984  -0.879   0.045  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.482  -0.763   0.171  1.00  0.00           C  
HETATM    7  C   UNL     1     -10.454  -0.746   1.529  1.00  0.00           C  
HETATM    8  C   UNL     1     -11.229  -0.550   0.401  1.00  0.00           C  
HETATM    9  C   UNL     1      -9.257  -0.572  -0.958  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.298  -0.667  -0.131  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.926  -0.596  -0.237  1.00  0.00           C  
HETATM   12  C   UNL     1       6.118  -1.673  -0.015  1.00  0.00           C  
HETATM   13  O   UNL     1       8.013  -3.049   0.481  1.00  0.00           O  
HETATM   14  C   UNL     1       5.801  -0.018  -1.834  1.00  0.00           C  
HETATM   15  C   UNL     1       5.518  -0.335  -0.365  1.00  0.00           C  
HETATM   16  C   UNL     1       4.006  -0.378  -0.134  1.00  0.00           C  
HETATM   17  C   UNL     1       3.391   0.964  -0.538  1.00  0.00           C  
HETATM   18  C   UNL     1       1.317   1.203   0.724  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.025   1.136   0.845  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.809   0.719  -0.255  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.174   0.385  -1.442  1.00  0.00           C  
HETATM   22  C   UNL     1       1.223   0.472  -1.514  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.034   1.799   0.055  1.00  0.00           C  
HETATM   24  C   UNL     1      -9.080  -0.853   1.413  1.00  0.00           C  
HETATM   25  C   UNL     1     -10.630  -0.465  -0.843  1.00  0.00           C  
HETATM   26  C   UNL     1       5.686   0.456   2.335  1.00  0.00           C  
HETATM   27  N   UNL     1       1.931   0.879  -0.444  1.00  0.00           N  
HETATM   28  N   UNL     1       7.450  -1.791   0.153  1.00  0.00           N  
HETATM   29  O   UNL     1       1.798   0.182  -2.551  1.00  0.00           O  
HETATM   30  O   UNL     1       5.401  -2.643   0.114  1.00  0.00           O  
HETATM   31  O   UNL     1       7.668   0.819   0.634  1.00  0.00           O  
HETATM   32  O   UNL     1       5.660   2.197   0.355  1.00  0.00           O  
HETATM   33  S   UNL     1       6.254   0.949   0.684  1.00  0.00           S  
HETATM   34  H   UNL     1      -4.988   2.619   0.302  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.734  -1.314  -0.922  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.602  -1.519   0.841  1.00  0.00           H  
HETATM   37  H   UNL     1     -10.921  -0.812   2.500  1.00  0.00           H  
HETATM   38  H   UNL     1     -12.301  -0.463   0.491  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.790  -0.506  -1.929  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.796  -1.623  -0.204  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.349  -1.495  -0.394  1.00  0.00           H  
HETATM   42  H   UNL     1       8.974  -3.035   0.581  1.00  0.00           H  
HETATM   43  H   UNL     1       5.359  -0.789  -2.465  1.00  0.00           H  
HETATM   44  H   UNL     1       5.368   0.950  -2.087  1.00  0.00           H  
HETATM   45  H   UNL     1       6.878   0.013  -1.999  1.00  0.00           H  
HETATM   46  H   UNL     1       3.569  -1.174  -0.737  1.00  0.00           H  
HETATM   47  H   UNL     1       3.805  -0.567   0.920  1.00  0.00           H  
HETATM   48  H   UNL     1       3.753   1.745   0.130  1.00  0.00           H  
HETATM   49  H   UNL     1       3.676   1.200  -1.563  1.00  0.00           H  
HETATM   50  H   UNL     1       1.913   1.523   1.567  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.499   1.400   1.779  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.747   0.063  -2.298  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.539   2.756   0.130  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.475  -1.007   2.295  1.00  0.00           H  
HETATM   55  H   UNL     1     -11.236  -0.316  -1.724  1.00  0.00           H  
HETATM   56  H   UNL     1       6.054  -0.544   2.562  1.00  0.00           H  
HETATM   57  H   UNL     1       6.066   1.160   3.075  1.00  0.00           H  
HETATM   58  H   UNL     1       4.596   0.456   2.359  1.00  0.00           H  
HETATM   59  H   UNL     1       8.022  -1.016   0.049  1.00  0.00           H  
CONECT    1   20   23   23   11                                       
CONECT    2   23    3    3   34                                       
CONECT    3    2    2   10    4                                       
CONECT    4    3    5                                                 
CONECT    5    4    6   35   36                                       
CONECT    6    5    9    9   24                                       
CONECT    7   24   24    8   37                                       
CONECT    8   25   25    7   38                                       
CONECT    9    6    6   25   39                                       
CONECT   10   11   11    3   40                                       
CONECT   11    1   10   10   41                                       
CONECT   12   28   30   30   15                                       
CONECT   13   28   42                                                 
CONECT   14   15   43   44   45                                       
CONECT   15   12   14   16   33                                       
CONECT   16   17   15   46   47                                       
CONECT   17   27   16   48   49                                       
CONECT   18   27   19   19   50                                       
CONECT   19   18   18   20   51                                       
CONECT   20   19   21   21    1                                       
CONECT   21   22   20   20   52                                       
CONECT   22   27   29   29   21                                       
CONECT   23    1    1    2   53                                       
CONECT   24    6    7    7   54                                       
CONECT   25    9    8    8   55                                       
CONECT   26   33   56   57   58                                       
CONECT   27   17   18   22                                            
CONECT   28   13   12   59                                            
CONECT   29   22   22                                                 
CONECT   30   12   12                                                 
CONECT   31   33   33                                                 
CONECT   32   33   33                                                 
CONECT   33   15   31   31   26                                       
CONECT   33   32   32                                                 
CONECT   34    2                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   14                                                      
CONECT   46   16                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   17                                                      
CONECT   50   18                                                      
CONECT   51   19                                                      
CONECT   52   21                                                      
CONECT   53   23                                                      
CONECT   54   24                                                      
CONECT   55   25                                                      
CONECT   56   26                                                      
CONECT   57   26                                                      
CONECT   58   26                                                      
CONECT   59   28                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
