COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK     1       0.667   5.869  -0.490  1.00  0.00           C  
HETATM    2  O   UNK     1      -0.519   5.729  -0.674  1.00  0.00           O  
HETATM    3  C   UNK     1       1.404   4.924   0.424  1.00  0.00           C  
HETATM    4  C   UNK     1       2.129   3.850  -0.408  1.00  0.00           C  
HETATM    5  C   UNK     1       1.544   2.503   0.075  1.00  0.00           C  
HETATM    6  C   UNK     1       0.990   2.849   1.479  1.00  0.00           C  
HETATM    7  N   UNK     1       0.444   4.220   1.301  1.00  0.00           N  
HETATM    8  O   UNK     1       2.569   1.510   0.167  1.00  0.00           O  
HETATM    9  C   UNK     1       2.179   0.214   0.084  1.00  0.00           C  
HETATM   10  C   UNK     1       0.851  -0.119   0.036  1.00  0.00           C  
HETATM   11  C   UNK     1       0.474  -1.466  -0.049  1.00  0.00           C  
HETATM   12  N   UNK     1       1.373  -2.434  -0.086  1.00  0.00           N  
HETATM   13  C   UNK     1       2.684  -2.170  -0.042  1.00  0.00           C  
HETATM   14  C   UNK     1       3.133  -0.829   0.039  1.00  0.00           C  
HETATM   15  C   UNK     1       4.508  -0.556   0.085  1.00  0.00           C  
HETATM   16  C   UNK     1       5.404  -1.580   0.051  1.00  0.00           C  
HETATM   17  C   UNK     1       4.972  -2.907  -0.029  1.00  0.00           C  
HETATM   18  C   UNK     1       3.629  -3.208  -0.081  1.00  0.00           C  
HETATM   19  O   UNK     1       5.886  -3.911  -0.062  1.00  0.00           O  
HETATM   20  C   UNK     1       7.264  -3.535  -0.012  1.00  0.00           C  
HETATM   21  C   UNK     1      -0.964  -1.812  -0.100  1.00  0.00           C  
HETATM   22  C   UNK     1      -1.398  -3.085  -0.177  1.00  0.00           C  
HETATM   23  S   UNK     1      -3.159  -3.067  -0.215  1.00  0.00           S  
HETATM   24  C   UNK     1      -3.147  -1.309  -0.122  1.00  0.00           C  
HETATM   25  N   UNK     1      -1.923  -0.887  -0.067  1.00  0.00           N  
HETATM   26  N   UNK     1      -4.275  -0.499  -0.104  1.00  0.00           N  
HETATM   27  C   UNK     1      -5.503  -1.052  -0.161  1.00  0.00           C  
HETATM   28  O   UNK     1      -5.622  -2.257  -0.227  1.00  0.00           O  
HETATM   29  C   UNK     1      -6.727  -0.173  -0.142  1.00  0.00           C  
HETATM   30  C   UNK     1      -7.982  -1.045  -0.216  1.00  0.00           C  
HETATM   31  C   UNK     1      -6.749   0.643   1.152  1.00  0.00           C  
HETATM   32  H   UNK     1       2.123   5.477   1.028  1.00  0.00           H  
HETATM   33  H   UNK     1       1.926   3.992  -1.469  1.00  0.00           H  
HETATM   34  H   UNK     1       3.202   3.886  -0.220  1.00  0.00           H  
HETATM   35  H   UNK     1       0.743   2.171  -0.585  1.00  0.00           H  
HETATM   36  H   UNK     1       0.199   2.155   1.763  1.00  0.00           H  
HETATM   37  H   UNK     1       1.789   2.847   2.220  1.00  0.00           H  
HETATM   38  H   UNK     1       0.097   0.653   0.064  1.00  0.00           H  
HETATM   39  H   UNK     1       4.855   0.465   0.147  1.00  0.00           H  
HETATM   40  H   UNK     1       6.462  -1.365   0.086  1.00  0.00           H  
HETATM   41  H   UNK     1       3.305  -4.236  -0.142  1.00  0.00           H  
HETATM   42  H   UNK     1       7.459  -2.991   0.913  1.00  0.00           H  
HETATM   43  H   UNK     1       7.886  -4.429  -0.045  1.00  0.00           H  
HETATM   44  H   UNK     1       7.498  -2.897  -0.864  1.00  0.00           H  
HETATM   45  H   UNK     1      -0.773  -3.965  -0.210  1.00  0.00           H  
HETATM   46  H   UNK     1      -4.180   0.465  -0.051  1.00  0.00           H  
HETATM   47  H   UNK     1      -6.703   0.502  -0.997  1.00  0.00           H  
HETATM   48  H   UNK     1      -8.006  -1.721   0.639  1.00  0.00           H  
HETATM   49  H   UNK     1      -8.867  -0.410  -0.202  1.00  0.00           H  
HETATM   50  H   UNK     1      -7.966  -1.627  -1.138  1.00  0.00           H  
HETATM   51  H   UNK     1      -6.773  -0.032   2.007  1.00  0.00           H  
HETATM   52  H   UNK     1      -5.855   1.264   1.205  1.00  0.00           H  
HETATM   53  H   UNK     1      -7.634   1.279   1.166  1.00  0.00           H  
HETATM   54  O   UNK     1       1.329   6.864  -1.102  1.00  0.00           O  
HETATM   55  H   UNK     1       0.814   7.442  -1.682  1.00  0.00           H  
HETATM   56  H   UNK     1       0.352   4.691   2.188  1.00  0.00           H  
CONECT    1    3    2    2   54                                       
CONECT    2    1    1                                                 
CONECT    3    4    1    7   32                                       
CONECT    4    5    3   33   34                                       
CONECT    5    8    4    6   35                                       
CONECT    6    5    7   36   37                                       
CONECT    7    3    6   56                                            
CONECT    8    9    5                                                 
CONECT    9   14   14   10    8                                       
CONECT   10   11   11    9   38                                       
CONECT   11   12   21   10   10                                       
CONECT   12   13   13   11                                            
CONECT   13   18   12   12   14                                       
CONECT   14   13   15    9    9                                       
CONECT   15   16   16   14   39                                       
CONECT   16   17   15   15   40                                       
CONECT   17   19   18   18   16                                       
CONECT   18   17   17   13   41                                       
CONECT   19   20   17                                                 
CONECT   20   19   42   43   44                                       
CONECT   21   22   22   11   25                                       
CONECT   22   23   21   21   45                                       
CONECT   23   22   24                                                 
CONECT   24   23   26   25   25                                       
CONECT   25   21   24   24                                            
CONECT   26   24   27   46                                            
CONECT   27   28   28   26   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   31   30   47                                       
CONECT   30   29   48   49   50                                       
CONECT   31   29   51   52   53                                       
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38   10                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   18                                                      
CONECT   42   20                                                      
CONECT   43   20                                                      
CONECT   44   20                                                      
CONECT   45   22                                                      
CONECT   46   26                                                      
CONECT   47   29                                                      
CONECT   48   30                                                      
CONECT   49   30                                                      
CONECT   50   30                                                      
CONECT   51   31                                                      
CONECT   52   31                                                      
CONECT   53   31                                                      
CONECT   54    1   55                                                 
CONECT   55   54                                                      
CONECT   56    7                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
