COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.170  -0.299  -0.584  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.958  -1.662  -0.689  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.683  -2.181  -0.556  1.00  0.00           C  
HETATM    4  C   UNL     1       1.775  -1.907  -0.174  1.00  0.00           C  
HETATM    5  C   UNL     1       3.409  -4.918   1.471  1.00  0.00           C  
HETATM    6  C   UNL     1       1.846  -2.901   1.006  1.00  0.00           C  
HETATM    7  C   UNL     1       0.178   0.034  -0.212  1.00  0.00           C  
HETATM    8  C   UNL     1       0.386  -1.340  -0.318  1.00  0.00           C  
HETATM    9  C   UNL     1       2.129  -2.816  -1.374  1.00  0.00           C  
HETATM   10  C   UNL     1       2.936  -3.939  -0.763  1.00  0.00           C  
HETATM   11  C   UNL     1       1.323   0.942   0.043  1.00  0.00           C  
HETATM   12  C   UNL     1       2.214   0.668   1.078  1.00  0.00           C  
HETATM   13  C   UNL     1       3.282   1.511   1.312  1.00  0.00           C  
HETATM   14  C   UNL     1       3.471   2.631   0.517  1.00  0.00           C  
HETATM   15  C   UNL     1       5.394   3.114   1.830  1.00  0.00           C  
HETATM   16  C   UNL     1       2.583   2.910  -0.519  1.00  0.00           C  
HETATM   17  C   UNL     1       1.821   4.233  -2.343  1.00  0.00           C  
HETATM   18  C   UNL     1       1.512   2.068  -0.757  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.109   0.551  -0.347  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.334   1.564   1.597  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.146   1.369   2.540  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.235  -0.780   1.229  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.725  -0.573   0.948  1.00  0.00           C  
HETATM   24  N   UNL     1       2.764  -3.961   0.570  1.00  0.00           N  
HETATM   25  N   UNL     1      -4.482   0.380   0.746  1.00  0.00           N  
HETATM   26  O   UNL     1      -3.644   1.711  -1.156  1.00  0.00           O  
HETATM   27  O   UNL     1       3.636  -4.710  -1.385  1.00  0.00           O  
HETATM   28  O   UNL     1       4.523   3.459   0.751  1.00  0.00           O  
HETATM   29  O   UNL     1       2.770   4.009  -1.298  1.00  0.00           O  
HETATM   30  O   UNL     1      -4.531  -0.598  -1.519  1.00  0.00           O  
HETATM   31  S   UNL     1      -3.797   0.354  -0.761  1.00  0.00           S  
HETATM   32  H   UNL     1      -2.792  -2.323  -0.874  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.523  -3.246  -0.639  1.00  0.00           H  
HETATM   34  H   UNL     1       2.509  -1.110  -0.058  1.00  0.00           H  
HETATM   35  H   UNL     1       2.774  -5.798   1.582  1.00  0.00           H  
HETATM   36  H   UNL     1       4.372  -5.216   1.057  1.00  0.00           H  
HETATM   37  H   UNL     1       3.560  -4.455   2.446  1.00  0.00           H  
HETATM   38  H   UNL     1       2.238  -2.405   1.894  1.00  0.00           H  
HETATM   39  H   UNL     1       0.859  -3.317   1.209  1.00  0.00           H  
HETATM   40  H   UNL     1       1.222  -3.205  -1.838  1.00  0.00           H  
HETATM   41  H   UNL     1       2.727  -2.269  -2.103  1.00  0.00           H  
HETATM   42  H   UNL     1       2.069  -0.204   1.699  1.00  0.00           H  
HETATM   43  H   UNL     1       3.971   1.297   2.115  1.00  0.00           H  
HETATM   44  H   UNL     1       4.827   3.091   2.761  1.00  0.00           H  
HETATM   45  H   UNL     1       5.829   2.131   1.646  1.00  0.00           H  
HETATM   46  H   UNL     1       6.189   3.855   1.907  1.00  0.00           H  
HETATM   47  H   UNL     1       0.826   4.345  -1.912  1.00  0.00           H  
HETATM   48  H   UNL     1       2.087   5.140  -2.886  1.00  0.00           H  
HETATM   49  H   UNL     1       1.828   3.385  -3.027  1.00  0.00           H  
HETATM   50  H   UNL     1       0.825   2.281  -1.562  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.276   1.615  -0.265  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.243   1.706   2.182  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.163   2.441   0.973  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.036   2.249   3.174  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.317   0.492   3.164  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.237   1.227   1.955  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.080  -0.893   2.302  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.889  -1.677   0.715  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.070   0.324   1.462  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.880  -0.460  -0.125  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.285  -1.437   1.308  1.00  0.00           H  
CONECT    1   31   19   19    2                                       
CONECT    2    1    3    3   32                                       
CONECT    3    2    2    8   33                                       
CONECT    4    8    6    9   34                                       
CONECT    5   24   35   36   37                                       
CONECT    6    4   24   38   39                                       
CONECT    7   19   11    8    8                                       
CONECT    8    7    7    3    4                                       
CONECT    9    4   10   40   41                                       
CONECT   10    9   24   27   27                                       
CONECT   11   12   12   18    7                                       
CONECT   12   13   11   11   42                                       
CONECT   13   14   14   12   43                                       
CONECT   14   28   13   13   16                                       
CONECT   15   28   44   45   46                                       
CONECT   16   14   29   18   18                                       
CONECT   17   29   47   48   49                                       
CONECT   18   16   16   11   50                                       
CONECT   19    1    1    7   51                                       
CONECT   20   21   25   52   53                                       
CONECT   21   20   54   55   56                                       
CONECT   22   25   23   57   58                                       
CONECT   23   22   59   60   61                                       
CONECT   24    6   10    5                                            
CONECT   25   20   31   22                                            
CONECT   26   31   31                                                 
CONECT   27   10   10                                                 
CONECT   28   15   14                                                 
CONECT   29   16   17                                                 
CONECT   30   31   31                                                 
CONECT   31   26   26   25   30                                       
CONECT   31   30    1                                                 
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40    9                                                      
CONECT   41    9                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   17                                                      
CONECT   48   17                                                      
CONECT   49   17                                                      
CONECT   50   18                                                      
CONECT   51   19                                                      
CONECT   52   20                                                      
CONECT   53   20                                                      
CONECT   54   21                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   23                                                      
CONECT   61   23                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
