COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.399  -1.653   0.302  1.00  0.00           C  
HETATM    2  C   UNL     1       3.610  -1.029   0.381  1.00  0.00           C  
HETATM    3  C   UNL     1       3.699   0.362   0.425  1.00  0.00           C  
HETATM    4  N   UNL     1       4.943   0.978   0.505  1.00  0.00           N  
HETATM    5  C   UNL     1       5.998   0.128  -0.104  1.00  0.00           C  
HETATM    6  C   UNL     1       7.137   1.135  -0.402  1.00  0.00           C  
HETATM    7  C   UNL     1       4.957   2.245  -0.257  1.00  0.00           C  
HETATM    8  C   UNL     1       6.370   2.401  -0.849  1.00  0.00           C  
HETATM    9  C   UNL     1       1.217  -0.887   0.263  1.00  0.00           C  
HETATM   10  C   UNL     1       1.336   0.523   0.309  1.00  0.00           C  
HETATM   11  C   UNL     1       2.533   1.138   0.387  1.00  0.00           C  
HETATM   12  S   UNL     1      -0.198   1.413   0.256  1.00  0.00           S  
HETATM   13  N   UNL     1       0.021  -1.460   0.187  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.195  -0.924   0.140  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.446   0.464   0.166  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.703   0.964   0.115  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.312  -1.793   0.060  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.574  -1.286   0.009  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.793   0.092   0.035  1.00  0.00           C  
HETATM   20  N   UNL     1      -5.088   0.595  -0.017  1.00  0.00           N  
HETATM   21  C   UNL     1      -5.457   2.022  -0.003  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.847   2.080  -0.684  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.317  -0.208  -0.102  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.504   0.775  -0.161  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.102  -3.284   0.028  1.00  0.00           C  
HETATM   26  C   UNL     1       2.327  -3.158   0.250  1.00  0.00           C  
HETATM   27  C   UNL     1       2.254  -3.615  -1.209  1.00  0.00           C  
HETATM   28  H   UNL     1       4.512  -1.621   0.411  1.00  0.00           H  
HETATM   29  H   UNL     1       6.333  -0.633   0.601  1.00  0.00           H  
HETATM   30  H   UNL     1       5.638  -0.333  -1.023  1.00  0.00           H  
HETATM   31  H   UNL     1       7.720   1.335   0.497  1.00  0.00           H  
HETATM   32  H   UNL     1       7.776   0.768  -1.205  1.00  0.00           H  
HETATM   33  H   UNL     1       4.221   2.204  -1.060  1.00  0.00           H  
HETATM   34  H   UNL     1       4.735   3.081   0.407  1.00  0.00           H  
HETATM   35  H   UNL     1       6.851   3.295  -0.451  1.00  0.00           H  
HETATM   36  H   UNL     1       6.322   2.450  -1.937  1.00  0.00           H  
HETATM   37  H   UNL     1       2.593   2.216   0.421  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.864   2.032   0.137  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.417  -1.958  -0.052  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.521   2.387   1.022  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.733   2.607  -0.570  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.406   2.957  -0.357  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.752   2.061  -1.769  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.297  -0.822  -1.003  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.406  -0.843   0.780  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.932   0.923   0.831  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.262   0.423  -0.860  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.103  -3.673   1.047  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.905  -3.753  -0.540  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.145  -3.507  -0.444  1.00  0.00           H  
HETATM   51  H   UNL     1       3.215  -3.581   0.719  1.00  0.00           H  
HETATM   52  H   UNL     1       1.438  -3.497   0.782  1.00  0.00           H  
HETATM   53  H   UNL     1       1.365  -3.191  -1.678  1.00  0.00           H  
HETATM   54  H   UNL     1       3.142  -3.275  -1.741  1.00  0.00           H  
HETATM   55  H   UNL     1       2.201  -4.703  -1.247  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.295   1.923   1.496  1.00  0.00           H  
CONECT    1    2   26    9    9                                       
CONECT    2    3    3    1   28                                       
CONECT    3    4    2    2   11                                       
CONECT    4    5    7    3                                            
CONECT    5    6    4   29   30                                       
CONECT    6    5    8   31   32                                       
CONECT    7    8    4   33   34                                       
CONECT    8    6    7   35   36                                       
CONECT    9    1    1   10   13                                       
CONECT   10   11   11    9   12                                       
CONECT   11    3   10   10   37                                       
CONECT   12   10   15   15   56                                       
CONECT   13    9   14   14                                            
CONECT   14   13   13   15   17                                       
CONECT   15   12   12   14   16                                       
CONECT   16   15   19   19   38                                       
CONECT   17   14   25   18   18                                       
CONECT   18   17   17   19   39                                       
CONECT   19   16   16   18   20                                       
CONECT   20   19   23   21                                            
CONECT   21   20   22   40   41                                       
CONECT   22   21   24   42   43                                       
CONECT   23   20   24   44   45                                       
CONECT   24   23   22   46   47                                       
CONECT   25   17   48   49   50                                       
CONECT   26    1   27   51   52                                       
CONECT   27   26   53   54   55                                       
CONECT   28    2                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37   11                                                      
CONECT   38   16                                                      
CONECT   39   18                                                      
CONECT   40   21                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   25                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   26                                                      
CONECT   53   27                                                      
CONECT   54   27                                                      
CONECT   55   27                                                      
CONECT   56   12                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
