COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       7.735  -1.182   0.364  1.00  0.00           N  
HETATM    2  C   UNL     1       8.675  -0.208   0.360  1.00  0.00           C  
HETATM    3  O   UNL     1       9.854  -0.468   0.510  1.00  0.00           O  
HETATM    4  C   UNL     1       8.217   1.174   0.166  1.00  0.00           C  
HETATM    5  C   UNL     1       9.106   2.248   0.145  1.00  0.00           C  
HETATM    6  C   UNL     1       8.627   3.516  -0.039  1.00  0.00           C  
HETATM    7  C   UNL     1       7.267   3.743  -0.205  1.00  0.00           C  
HETATM    8  C   UNL     1       6.374   2.710  -0.189  1.00  0.00           C  
HETATM    9  C   UNL     1       6.832   1.402  -0.003  1.00  0.00           C  
HETATM   10  N   UNL     1       5.986   0.353   0.020  1.00  0.00           N  
HETATM   11  C   UNL     1       6.417  -0.873   0.189  1.00  0.00           C  
HETATM   12  S   UNL     1       5.238  -2.182   0.205  1.00  0.00           S  
HETATM   13  C   UNL     1      -5.293  -0.073  -0.227  1.00  0.00           C  
HETATM   14  N   UNL     1      -5.424   0.995  -0.963  1.00  0.00           N  
HETATM   15  N   UNL     1      -6.642   1.406  -0.911  1.00  0.00           N  
HETATM   16  C   UNL     1      -7.335   0.607  -0.134  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.773   0.729   0.191  1.00  0.00           C  
HETATM   18  O   UNL     1      -6.494  -0.348   0.310  1.00  0.00           O  
HETATM   19  C   UNL     1      -9.380  -0.195   1.042  1.00  0.00           C  
HETATM   20  C   UNL     1     -10.721  -0.075   1.341  1.00  0.00           C  
HETATM   21  C   UNL     1     -11.465   0.958   0.798  1.00  0.00           C  
HETATM   22  C   UNL     1     -10.869   1.877  -0.047  1.00  0.00           C  
HETATM   23  C   UNL     1      -9.527   1.772  -0.349  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.232  -2.178  -1.158  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.169  -1.275  -0.528  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.673  -0.757   0.821  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.961   0.042   0.610  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.024  -0.860  -0.020  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.520  -1.378  -1.368  1.00  0.00           C  
HETATM   30  C   UNL     1       3.714  -1.237  -0.044  1.00  0.00           C  
HETATM   31  C   UNL     1       2.519  -2.192  -0.066  1.00  0.00           C  
HETATM   32  C   UNL     1       1.251  -1.405  -0.273  1.00  0.00           C  
HETATM   33  O   UNL     1       1.298  -0.199  -0.391  1.00  0.00           O  
HETATM   34  N   UNL     1       0.064  -2.041  -0.327  1.00  0.00           N  
HETATM   35  H   UNL     1       8.000  -2.107   0.489  1.00  0.00           H  
HETATM   36  H   UNL     1      10.165   2.080   0.274  1.00  0.00           H  
HETATM   37  H   UNL     1       9.314   4.349  -0.055  1.00  0.00           H  
HETATM   38  H   UNL     1       6.910   4.753  -0.349  1.00  0.00           H  
HETATM   39  H   UNL     1       5.319   2.901  -0.319  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.801  -1.002   1.465  1.00  0.00           H  
HETATM   41  H   UNL     1     -11.193  -0.790   1.999  1.00  0.00           H  
HETATM   42  H   UNL     1     -12.514   1.047   1.035  1.00  0.00           H  
HETATM   43  H   UNL     1     -11.455   2.681  -0.467  1.00  0.00           H  
HETATM   44  H   UNL     1      -9.062   2.493  -1.005  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.873  -2.547  -2.118  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.432  -3.020  -0.496  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.970  -0.433  -1.189  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.873  -1.600   1.482  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.916  -0.115   1.269  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.320   0.411   1.571  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.761   0.885  -0.051  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.224  -1.703   0.642  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.320  -0.535  -2.029  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.277  -2.021  -1.817  1.00  0.00           H  
HETATM   55  H   UNL     1       3.593  -0.522   0.770  1.00  0.00           H  
HETATM   56  H   UNL     1       3.769  -0.702  -0.992  1.00  0.00           H  
HETATM   57  H   UNL     1       2.640  -2.907  -0.880  1.00  0.00           H  
HETATM   58  H   UNL     1       2.464  -2.727   0.882  1.00  0.00           H  
HETATM   59  H   UNL     1       0.026  -3.005  -0.232  1.00  0.00           H  
CONECT    1   11    2   35                                            
CONECT    2    4    1    3    3                                       
CONECT    3    2    2                                                 
CONECT    4    9    9    5    2                                       
CONECT    5    6    6    4   36                                       
CONECT    6    7    5    5   37                                       
CONECT    7    8    8    6   38                                       
CONECT    8    7    7    9   39                                       
CONECT    9    8   10    4    4                                       
CONECT   10    9   11   11                                            
CONECT   11   10   10   12    1                                       
CONECT   12   30   11                                                 
CONECT   13   14   14   28   18                                       
CONECT   14   15   13   13                                            
CONECT   15   14   16   16                                            
CONECT   16   15   15   18   17                                       
CONECT   17   16   19   19   23                                       
CONECT   18   13   16                                                 
CONECT   19   17   17   20   40                                       
CONECT   20   19   21   21   41                                       
CONECT   21   20   20   22   42                                       
CONECT   22   23   23   21   43                                       
CONECT   23   17   22   22   44                                       
CONECT   24   25   29   45   46                                       
CONECT   25   26   34   24   47                                       
CONECT   26   27   25   48   49                                       
CONECT   27   26   28   50   51                                       
CONECT   28   27   13   29   52                                       
CONECT   29   28   24   53   54                                       
CONECT   30   31   12   55   56                                       
CONECT   31   32   30   57   58                                       
CONECT   32   33   33   34   31                                       
CONECT   33   32   32                                                 
CONECT   34   32   25   59                                            
CONECT   35    1                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
CONECT   51   27                                                      
CONECT   52   28                                                      
CONECT   53   29                                                      
CONECT   54   29                                                      
CONECT   55   30                                                      
CONECT   56   30                                                      
CONECT   57   31                                                      
CONECT   58   31                                                      
CONECT   59   34                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
