COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNK     1      -0.463   1.078   2.487  1.00  0.00           S  
HETATM    2  C   UNK     1       0.748   2.287   1.841  1.00  0.00           C  
HETATM    3  C   UNK     1       0.264   3.589   2.506  1.00  0.00           C  
HETATM    4  N   UNK     1      -0.041   3.301   3.910  1.00  0.00           N  
HETATM    5  C   UNK     1      -0.872   2.093   3.946  1.00  0.00           C  
HETATM    6  C   UNK     1      -2.361   2.424   3.951  1.00  0.00           C  
HETATM    7  C   UNK     1      -3.184   1.146   3.965  1.00  0.00           C  
HETATM    8  O   UNK     1      -3.532   0.593   5.004  1.00  0.00           O  
HETATM    9  C   UNK     1       0.654   2.357   0.317  1.00  0.00           C  
HETATM   10  C   UNK     1       2.149   1.830   2.272  1.00  0.00           C  
HETATM   11  C   UNK     1       1.294   4.674   2.488  1.00  0.00           C  
HETATM   12  O   UNK     1       1.269   5.445   3.488  1.00  0.00           O  
HETATM   13  O   UNK     1       2.054   4.680   1.480  1.00  0.00           O1-
HETATM   14  N   UNK     1      -2.670   3.280   5.066  1.00  0.00           N  
HETATM   15  C   UNK     1      -3.695   4.219   5.033  1.00  0.00           C  
HETATM   16  O   UNK     1      -4.434   4.416   4.072  1.00  0.00           O  
HETATM   17  C   UNK     1      -3.802   4.978   6.341  1.00  0.00           C  
HETATM   18  C   UNK     1      -3.614   6.464   6.186  1.00  0.00           C  
HETATM   19  C   UNK     1      -2.340   7.005   6.290  1.00  0.00           C  
HETATM   20  C   UNK     1      -2.165   8.381   6.146  1.00  0.00           C  
HETATM   21  C   UNK     1      -3.266   9.202   5.900  1.00  0.00           C  
HETATM   22  C   UNK     1      -4.541   8.647   5.797  1.00  0.00           C  
HETATM   23  C   UNK     1      -4.716   7.270   5.941  1.00  0.00           C  
HETATM   24  N   UNK     1      -5.463  -1.990   1.134  1.00  0.00           N  
HETATM   25  C   UNK     1      -4.546  -0.872   1.183  1.00  0.00           C  
HETATM   26  C   UNK     1      -4.270  -0.482   2.633  1.00  0.00           C  
HETATM   27  O   UNK     1      -3.485   0.713   2.709  1.00  0.00           O  
HETATM   28  C   UNK     1      -3.303  -1.125   0.309  1.00  0.00           C  
HETATM   29  O   UNK     1      -3.162  -0.372  -0.694  1.00  0.00           O  
HETATM   30  O   UNK     1      -2.569  -2.080   0.698  1.00  0.00           O1-
HETATM   31  H   UNK     1      -0.628   3.989   2.006  1.00  0.00           H  
HETATM   32  H   UNK     1       0.834   3.091   4.393  1.00  0.00           H  
HETATM   33  H   UNK     1      -0.644   1.518   4.849  1.00  0.00           H  
HETATM   34  H   UNK     1      -2.631   2.979   3.048  1.00  0.00           H  
HETATM   35  H   UNK     1       1.242   1.556  -0.142  1.00  0.00           H  
HETATM   36  H   UNK     1      -0.385   2.251  -0.010  1.00  0.00           H  
HETATM   37  H   UNK     1       1.034   3.316  -0.049  1.00  0.00           H  
HETATM   38  H   UNK     1       2.529   1.063   1.590  1.00  0.00           H  
HETATM   39  H   UNK     1       2.847   2.672   2.267  1.00  0.00           H  
HETATM   40  H   UNK     1       2.122   1.410   3.282  1.00  0.00           H  
HETATM   41  H   UNK     1      -2.114   3.195   5.915  1.00  0.00           H  
HETATM   42  H   UNK     1      -3.055   4.584   7.041  1.00  0.00           H  
HETATM   43  H   UNK     1      -4.785   4.774   6.785  1.00  0.00           H  
HETATM   44  H   UNK     1      -1.477   6.373   6.482  1.00  0.00           H  
HETATM   45  H   UNK     1      -1.172   8.814   6.226  1.00  0.00           H  
HETATM   46  H   UNK     1      -3.129  10.274   5.788  1.00  0.00           H  
HETATM   47  H   UNK     1      -5.398   9.286   5.605  1.00  0.00           H  
HETATM   48  H   UNK     1      -5.713   6.847   5.860  1.00  0.00           H  
HETATM   49  H   UNK     1      -5.092  -2.912   0.993  1.00  0.00           H  
HETATM   50  H   UNK     1      -6.444  -1.806   1.036  1.00  0.00           H  
HETATM   51  H   UNK     1      -5.075  -0.035   0.710  1.00  0.00           H  
HETATM   52  H   UNK     1      -5.199  -0.319   3.190  1.00  0.00           H  
HETATM   53  H   UNK     1      -3.709  -1.273   3.143  1.00  0.00           H  
CONECT    1    2    5                                                 
CONECT    2    1    3    9   10                                       
CONECT    3    2    4   11   31                                       
CONECT    4    3    5   32                                            
CONECT    5    1    4    6   33                                       
CONECT    6    5    7   14   34                                       
CONECT    7    6    8    8   27                                       
CONECT    8    7    7                                                 
CONECT    9    2   35   36   37                                       
CONECT   10    2   38   39   40                                       
CONECT   11    3   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11                                                      
CONECT   14    6   15   41                                            
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   18   42   43                                       
CONECT   18   17   19   19   23                                       
CONECT   19   18   18   20   44                                       
CONECT   20   19   21   21   45                                       
CONECT   21   20   20   22   46                                       
CONECT   22   21   23   23   47                                       
CONECT   23   18   22   22   48                                       
CONECT   24   25   49   50                                            
CONECT   25   24   26   28   51                                       
CONECT   26   25   27   52   53                                       
CONECT   27    7   26                                                 
CONECT   28   25   29   29   30                                       
CONECT   29   28   28                                                 
CONECT   30   28                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   10                                                      
CONECT   41   14                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   26                                                      
CONECT   53   26                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
