COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -8.269   2.416  -1.298  1.00  0.00           O  
HETATM    2  C   UNL     1      -8.701   1.599  -0.513  1.00  0.00           C  
HETATM    3  N   UNL     1      -9.568   1.979   0.447  1.00  0.00           N  
HETATM    4  C   UNL     1      -9.988   3.380   0.541  1.00  0.00           C  
HETATM    5  C   UNL     1     -10.966   3.541   1.706  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.274   0.157  -0.614  1.00  0.00           C  
HETATM    7  N   UNL     1      -7.715  -0.107  -1.952  1.00  0.00           N  
HETATM    8  C   UNL     1      -6.304  -0.523  -1.799  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.160  -0.133   0.413  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.213  -1.089  -0.360  1.00  0.00           C  
HETATM   11  N   UNL     1      -4.844  -0.999   0.154  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.962  -1.985  -0.102  1.00  0.00           C  
HETATM   13  O   UNL     1      -4.302  -2.947  -0.758  1.00  0.00           O  
HETATM   14  C   UNL     1      -2.553  -1.893   0.426  1.00  0.00           C  
HETATM   15  N   UNL     1      -2.001  -3.244   0.588  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.403  -3.825   1.876  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.689  -1.105  -0.561  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.314  -0.906   0.022  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.018  -0.357   1.206  1.00  0.00           N  
HETATM   20  N   UNL     1       1.259  -0.360   1.359  1.00  0.00           N  
HETATM   21  C   UNL     1       0.864  -1.254  -0.545  1.00  0.00           C  
HETATM   22  N   UNL     1       1.828  -0.886   0.331  1.00  0.00           N  
HETATM   23  C   UNL     1       3.270  -1.062   0.144  1.00  0.00           C  
HETATM   24  C   UNL     1       3.974   0.287   0.309  1.00  0.00           C  
HETATM   25  N   UNL     1       5.416   0.111   0.122  1.00  0.00           N  
HETATM   26  C   UNL     1       6.242   1.171   0.222  1.00  0.00           C  
HETATM   27  O   UNL     1       5.791   2.273   0.467  1.00  0.00           O  
HETATM   28  C   UNL     1       7.694   0.995   0.034  1.00  0.00           C  
HETATM   29  C   UNL     1       8.553   2.093   0.137  1.00  0.00           C  
HETATM   30  C   UNL     1       9.902   1.926  -0.038  1.00  0.00           C  
HETATM   31  C   UNL     1      10.418   0.663  -0.318  1.00  0.00           C  
HETATM   32  S   UNL     1      12.153   0.452  -0.543  1.00  0.00           S  
HETATM   33  C   UNL     1       9.565  -0.433  -0.422  1.00  0.00           C  
HETATM   34  C   UNL     1       8.216  -0.273  -0.243  1.00  0.00           C  
HETATM   35  H   UNL     1      -9.913   1.326   1.075  1.00  0.00           H  
HETATM   36  H   UNL     1      -9.128  -0.496  -0.433  1.00  0.00           H  
HETATM   37  H   UNL     1      -9.115   4.010   0.710  1.00  0.00           H  
HETATM   38  H   UNL     1     -10.476   3.676  -0.387  1.00  0.00           H  
HETATM   39  H   UNL     1     -11.839   2.911   1.538  1.00  0.00           H  
HETATM   40  H   UNL     1     -10.478   3.245   2.635  1.00  0.00           H  
HETATM   41  H   UNL     1     -11.278   4.583   1.777  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.250  -0.814  -2.435  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.641   0.784   0.689  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.568  -0.626   1.296  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.055  -1.296  -2.526  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.641   0.334  -1.912  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.576  -2.116  -0.320  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.572  -0.229   0.678  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.559  -1.384   1.390  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.275  -3.841  -0.178  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.611  -1.657  -1.497  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.148  -0.134  -0.750  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.110  -3.155   2.684  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.484  -3.963   1.892  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.912  -4.789   2.009  1.00  0.00           H  
HETATM   56  H   UNL     1       1.007  -1.728  -1.505  1.00  0.00           H  
HETATM   57  H   UNL     1       3.650  -1.763   0.887  1.00  0.00           H  
HETATM   58  H   UNL     1       3.462  -1.452  -0.855  1.00  0.00           H  
HETATM   59  H   UNL     1       3.593   0.988  -0.434  1.00  0.00           H  
HETATM   60  H   UNL     1       3.781   0.677   1.308  1.00  0.00           H  
HETATM   61  H   UNL     1       5.776  -0.768  -0.074  1.00  0.00           H  
HETATM   62  H   UNL     1       8.153   3.073   0.354  1.00  0.00           H  
HETATM   63  H   UNL     1       7.555  -1.124  -0.319  1.00  0.00           H  
HETATM   64  H   UNL     1      10.566   2.774   0.042  1.00  0.00           H  
HETATM   65  H   UNL     1      12.589   0.186   0.702  1.00  0.00           H  
HETATM   66  H   UNL     1       9.968  -1.411  -0.640  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    6                                       
CONECT    3    2    4   35                                            
CONECT    4    3    5   37   38                                       
CONECT    5    4   39   40   41                                       
CONECT    6    2    7    9   36                                       
CONECT    7    6    8   42                                            
CONECT    8    7   10   45   46                                       
CONECT    9    6   10   43   44                                       
CONECT   10    8    9   11   47                                       
CONECT   11   10   12   48                                            
CONECT   12   11   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   15   17   49                                       
CONECT   15   14   16   50                                            
CONECT   16   15   53   54   55                                       
CONECT   17   14   18   51   52                                       
CONECT   18   17   19   21   21                                       
CONECT   19   18   20   20                                            
CONECT   20   19   19   22                                            
CONECT   21   18   18   22   56                                       
CONECT   22   20   21   23                                            
CONECT   23   22   24   57   58                                       
CONECT   24   23   25   59   60                                       
CONECT   25   24   26   61                                            
CONECT   26   25   27   27   28                                       
CONECT   27   26   26                                                 
CONECT   28   26   29   34   34                                       
CONECT   29   28   30   30   62                                       
CONECT   30   29   29   31   64                                       
CONECT   31   30   32   33   33                                       
CONECT   32   31   65                                                 
CONECT   33   31   31   34   66                                       
CONECT   34   28   28   33   63                                       
CONECT   35    3                                                      
CONECT   36    6                                                      
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    7                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   17                                                      
CONECT   52   17                                                      
CONECT   53   16                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   21                                                      
CONECT   57   23                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   29                                                      
CONECT   63   34                                                      
CONECT   64   30                                                      
CONECT   65   32                                                      
CONECT   66   33                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
