COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -1.801   3.232   0.076  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.701   2.708   0.057  1.00  0.00           C  
HETATM    3  C   UNL     1       0.479   3.493   0.062  1.00  0.00           C  
HETATM    4  C   UNL     1       0.736   4.879   0.085  1.00  0.00           C  
HETATM    5  N   UNL     1       2.027   5.058   0.078  1.00  0.00           N  
HETATM    6  N   UNL     1       2.672   3.816   0.050  1.00  0.00           N  
HETATM    7  C   UNL     1       4.122   3.602   0.034  1.00  0.00           C  
HETATM    8  C   UNL     1       1.723   2.842   0.040  1.00  0.00           C  
HETATM    9  N   UNL     1       1.766   1.503   0.014  1.00  0.00           N  
HETATM   10  C   UNL     1       0.665   0.786   0.010  1.00  0.00           C  
HETATM   11  S   UNL     1       0.789  -0.971  -0.023  1.00  0.00           S  
HETATM   12  C   UNL     1       2.589  -1.158  -0.041  1.00  0.00           C  
HETATM   13  C   UNL     1       2.943  -2.620   0.053  1.00  0.00           C  
HETATM   14  C   UNL     1       3.705  -3.080   1.111  1.00  0.00           C  
HETATM   15  C   UNL     1       4.030  -4.421   1.197  1.00  0.00           C  
HETATM   16  C   UNL     1       3.593  -5.302   0.225  1.00  0.00           C  
HETATM   17  C   UNL     1       2.832  -4.842  -0.832  1.00  0.00           C  
HETATM   18  C   UNL     1       2.501  -3.502  -0.915  1.00  0.00           C  
HETATM   19  C   UNL     1       3.149  -0.581  -1.343  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.575   1.362   0.036  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.720   0.554   0.031  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.279   0.133   1.230  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.408  -0.663   1.221  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.980  -1.041   0.020  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.425  -0.623  -1.175  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.300   0.178  -1.173  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.212  -1.910   0.014  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.460  -1.025   0.038  1.00  0.00           C  
HETATM   29  O   UNL     1      -7.628  -1.849   0.033  1.00  0.00           O  
HETATM   30  H   UNL     1      -0.010   5.660   0.105  1.00  0.00           H  
HETATM   31  H   UNL     1       4.472   3.567  -0.998  1.00  0.00           H  
HETATM   32  H   UNL     1       4.616   4.419   0.558  1.00  0.00           H  
HETATM   33  H   UNL     1       4.355   2.659   0.528  1.00  0.00           H  
HETATM   34  H   UNL     1       3.019  -0.625   0.807  1.00  0.00           H  
HETATM   35  H   UNL     1       4.046  -2.392   1.870  1.00  0.00           H  
HETATM   36  H   UNL     1       4.625  -4.780   2.023  1.00  0.00           H  
HETATM   37  H   UNL     1       3.848  -6.350   0.292  1.00  0.00           H  
HETATM   38  H   UNL     1       2.491  -5.530  -1.592  1.00  0.00           H  
HETATM   39  H   UNL     1       1.906  -3.143  -1.742  1.00  0.00           H  
HETATM   40  H   UNL     1       2.720  -1.114  -2.191  1.00  0.00           H  
HETATM   41  H   UNL     1       2.893   0.476  -1.411  1.00  0.00           H  
HETATM   42  H   UNL     1       4.233  -0.694  -1.353  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.832   0.427   2.168  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.844  -0.991   2.153  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.874  -0.920  -2.112  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.869   0.508  -2.107  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.219  -2.524  -0.886  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.453  -0.411   0.939  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.458  -1.355   0.047  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.206  -2.554   0.893  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.466  -0.381  -0.841  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3   20    1    1                                       
CONECT    3    8    8    4    2                                       
CONECT    4    5    5    3   30                                       
CONECT    5    6    4    4                                            
CONECT    6    7    8    5                                            
CONECT    7    6   31   32   33                                       
CONECT    8    9    6    3    3                                       
CONECT    9    8   10   10                                            
CONECT   10   11    9    9   20                                       
CONECT   11   12   10                                                 
CONECT   12   13   19   11   34                                       
CONECT   13   18   18   14   12                                       
CONECT   14   15   15   13   35                                       
CONECT   15   16   14   14   36                                       
CONECT   16   17   17   15   37                                       
CONECT   17   16   16   18   38                                       
CONECT   18   17   13   13   39                                       
CONECT   19   12   40   41   42                                       
CONECT   20   10    2   21                                            
CONECT   21   20   26   26   22                                       
CONECT   22   21   23   23   43                                       
CONECT   23   22   22   24   44                                       
CONECT   24   25   25   23   27                                       
CONECT   25   26   24   24   45                                       
CONECT   26   21   21   25   46                                       
CONECT   27   24   28   47   50                                       
CONECT   28   27   29   48   51                                       
CONECT   29   28   49                                                 
CONECT   30    4                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34   12                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
CONECT   48   28                                                      
CONECT   49   29                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
