COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.179   4.110  -0.794  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.024   3.292  -0.276  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.773   2.023  -0.747  1.00  0.00           C  
HETATM    4  N   UNL     1      -5.216   3.755   0.633  1.00  0.00           N  
HETATM    5  S   UNL     1      -4.064   2.549   0.943  1.00  0.00           S  
HETATM    6  C   UNL     1      -4.697   1.413  -0.183  1.00  0.00           C  
HETATM    7  N   UNL     1      -4.209   0.135  -0.459  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.125  -0.307   0.208  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.615  -1.594  -0.047  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.585   0.409   1.034  1.00  0.00           O  
HETATM   11  C   UNL     1      -4.848  -0.630  -1.393  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.418  -1.870  -1.696  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.250  -2.401  -1.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -2.559  -3.548  -1.030  1.00  0.00           N  
HETATM   15  N   UNL     1      -1.588  -3.479  -0.187  1.00  0.00           N  
HETATM   16  N   UNL     1      -1.572  -2.344   0.424  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.606  -1.930   1.444  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.675  -2.891   2.633  1.00  0.00           C  
HETATM   19  C   UNL     1       0.783  -1.953   0.859  1.00  0.00           C  
HETATM   20  C   UNL     1       1.518  -0.807   0.828  1.00  0.00           C  
HETATM   21  C   UNL     1       2.812  -0.827   0.283  1.00  0.00           C  
HETATM   22  C   UNL     1       3.603   0.335   0.232  1.00  0.00           C  
HETATM   23  C   UNL     1       1.301  -3.148   0.364  1.00  0.00           C  
HETATM   24  C   UNL     1       2.551  -3.204  -0.170  1.00  0.00           C  
HETATM   25  C   UNL     1       3.338  -2.041  -0.227  1.00  0.00           C  
HETATM   26  N   UNL     1       4.569  -2.067  -0.748  1.00  0.00           N  
HETATM   27  C   UNL     1       5.312  -0.989  -0.800  1.00  0.00           C  
HETATM   28  C   UNL     1       4.856   0.241  -0.314  1.00  0.00           C  
HETATM   29  O   UNL     1       5.653   1.339  -0.384  1.00  0.00           O  
HETATM   30  C   UNL     1       6.947   1.166  -0.965  1.00  0.00           C  
HETATM   31  C   UNL     1       7.693   2.502  -0.957  1.00  0.00           C  
HETATM   32  O   UNL     1       7.936   2.903   0.393  1.00  0.00           O  
HETATM   33  C   UNL     1       8.632   4.146   0.514  1.00  0.00           C  
HETATM   34  H   UNL     1      -8.063   3.915  -0.187  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.927   5.169  -0.740  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.382   3.836  -1.829  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.382   1.550  -1.503  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.716  -0.232  -1.898  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.934  -2.464  -2.437  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.842  -0.920   1.780  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.438  -3.901   2.297  1.00  0.00           H  
HETATM   42  H   UNL     1       0.044  -2.583   3.392  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.679  -2.874   3.056  1.00  0.00           H  
HETATM   44  H   UNL     1       1.108   0.112   1.219  1.00  0.00           H  
HETATM   45  H   UNL     1       3.232   1.276   0.612  1.00  0.00           H  
HETATM   46  H   UNL     1       0.700  -4.044   0.404  1.00  0.00           H  
HETATM   47  H   UNL     1       2.937  -4.138  -0.550  1.00  0.00           H  
HETATM   48  H   UNL     1       6.301  -1.051  -1.228  1.00  0.00           H  
HETATM   49  H   UNL     1       7.509   0.432  -0.388  1.00  0.00           H  
HETATM   50  H   UNL     1       6.840   0.816  -1.992  1.00  0.00           H  
HETATM   51  H   UNL     1       8.643   2.391  -1.480  1.00  0.00           H  
HETATM   52  H   UNL     1       7.089   3.258  -1.458  1.00  0.00           H  
HETATM   53  H   UNL     1       9.601   4.068   0.022  1.00  0.00           H  
HETATM   54  H   UNL     1       8.047   4.936   0.043  1.00  0.00           H  
HETATM   55  H   UNL     1       8.777   4.380   1.568  1.00  0.00           H  
CONECT    1    2   34   35   36                                       
CONECT    2    4    4    3    1                                       
CONECT    3    6    6    2   37                                       
CONECT    4    5    2    2                                            
CONECT    5    6    4                                                 
CONECT    6    7    5    3    3                                       
CONECT    7    8   11    6                                            
CONECT    8    9   10   10    7                                       
CONECT    9   16    8   13   13                                       
CONECT   10    8    8                                                 
CONECT   11   12   12    7   38                                       
CONECT   12   13   11   11   39                                       
CONECT   13   14    9    9   12                                       
CONECT   14   15   15   13                                            
CONECT   15   16   14   14                                            
CONECT   16   17   15    9                                            
CONECT   17   18   16   19   40                                       
CONECT   18   17   41   42   43                                       
CONECT   19   17   23   23   20                                       
CONECT   20   19   21   21   44                                       
CONECT   21   20   20   25   22                                       
CONECT   22   21   28   28   45                                       
CONECT   23   19   19   24   46                                       
CONECT   24   23   25   25   47                                       
CONECT   25   24   24   21   26                                       
CONECT   26   25   27   27                                            
CONECT   27   26   26   28   48                                       
CONECT   28   22   22   27   29                                       
CONECT   29   28   30                                                 
CONECT   30   29   31   49   50                                       
CONECT   31   30   32   51   52                                       
CONECT   32   33   31                                                 
CONECT   33   32   53   54   55                                       
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    3                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   20                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   27                                                      
CONECT   49   30                                                      
CONECT   50   30                                                      
CONECT   51   31                                                      
CONECT   52   31                                                      
CONECT   53   33                                                      
CONECT   54   33                                                      
CONECT   55   33                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
