COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.694  -1.223   1.351  1.00  0.00           C  
HETATM    2  C   UNL     1       6.079  -1.605   1.030  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.337   0.386  -0.026  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.257   1.861  -0.086  1.00  0.00           C  
HETATM    5  O   UNL     1      -5.486  -1.634  -0.412  1.00  0.00           O  
HETATM    6  C   UNL     1      -7.894  -1.433  -0.377  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.689  -2.164  -0.972  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.673  -1.971  -2.490  1.00  0.00           C  
HETATM    9  C   UNL     1       8.236  -0.413   0.834  1.00  0.00           C  
HETATM   10  O   UNL     1       3.686  -2.133   2.157  1.00  0.00           O  
HETATM   11  N   UNL     1       4.841  -0.880   0.732  1.00  0.00           N  
HETATM   12  C   UNL     1       7.207  -1.031   0.212  1.00  0.00           C  
HETATM   13  N   UNL     1       7.177  -1.140  -1.138  1.00  0.00           N  
HETATM   14  O   UNL     1       6.083  -1.793  -1.755  1.00  0.00           O  
HETATM   15  C   UNL     1       8.173  -0.636  -1.912  1.00  0.00           C  
HETATM   16  C   UNL     1       9.232  -0.006  -1.350  1.00  0.00           C  
HETATM   17  O   UNL     1      10.228   0.497  -2.129  1.00  0.00           O  
HETATM   18  C   UNL     1       9.287   0.128   0.061  1.00  0.00           C  
HETATM   19  O   UNL     1      10.230   0.693   0.597  1.00  0.00           O  
HETATM   20  N   UNL     1       2.554  -0.560   1.072  1.00  0.00           N  
HETATM   21  C   UNL     1       1.306  -0.936   1.741  1.00  0.00           C  
HETATM   22  C   UNL     1       0.172  -0.034   1.249  1.00  0.00           C  
HETATM   23  N   UNL     1       0.095  -0.100  -0.212  1.00  0.00           N  
HETATM   24  S   UNL     1       0.137   1.293  -1.107  1.00  0.00           S  
HETATM   25  O   UNL     1      -0.903   2.123  -0.608  1.00  0.00           O  
HETATM   26  O   UNL     1       1.445   2.000  -0.779  1.00  0.00           O  
HETATM   27  O   UNL     1       0.228   0.893  -2.468  1.00  0.00           O  
HETATM   28  CA  UNL     1      -1.153  -0.506   1.852  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.132  -0.290   3.343  1.00  0.00           C  
HETATM   30  O   UNL     1      -1.954   0.427   3.861  1.00  0.00           O  
HETATM   31  N   UNL     1      -2.256   0.257   1.263  1.00  0.00           N  
HETATM   32  C   UNL     1      -3.274  -0.387   0.658  1.00  0.00           C  
HETATM   33  O   UNL     1      -3.320  -1.601   0.674  1.00  0.00           O  
HETATM   34  N   UNL     1      -5.342  -0.235  -0.576  1.00  0.00           N  
HETATM   35  C   UNL     1      -6.785  -3.634  -0.654  1.00  0.00           C  
HETATM   36  O   UNL     1      -5.960  -4.153   0.060  1.00  0.00           O  
HETATM   37  O   UNL     1      -7.788  -4.367  -1.164  1.00  0.00           O  
HETATM   38  N   UNL     1      -3.293   2.550   0.526  1.00  0.00           N  
HETATM   39  C   UNL     1      -3.326   3.840   0.403  1.00  0.00           C  
HETATM   40  N   UNL     1      -2.415   4.720   0.963  1.00  0.00           N  
HETATM   41  S   UNL     1      -4.708   4.302  -0.586  1.00  0.00           S  
HETATM   42  C   UNL     1      -5.151   2.606  -0.766  1.00  0.00           C  
HETATM   43  H   UNL     1       6.312  -1.505   2.091  1.00  0.00           H  
HETATM   44  H   UNL     1       5.951  -2.659   0.784  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.824  -0.370  -0.607  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.811  -1.838  -0.804  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.905  -1.571   0.704  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.815  -2.491  -2.914  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.591  -2.375  -2.917  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.603  -0.908  -2.720  1.00  0.00           H  
HETATM   51  H   UNL     1       8.252  -0.330   1.911  1.00  0.00           H  
HETATM   52  H   UNL     1       4.847  -0.154   0.089  1.00  0.00           H  
HETATM   53  H   UNL     1       6.140  -1.828  -2.720  1.00  0.00           H  
HETATM   54  H   UNL     1       8.121  -0.740  -2.986  1.00  0.00           H  
HETATM   55  H   UNL     1      10.937   0.928  -1.632  1.00  0.00           H  
HETATM   56  H   UNL     1       2.560   0.166   0.429  1.00  0.00           H  
HETATM   57  H   UNL     1       1.069  -1.975   1.511  1.00  0.00           H  
HETATM   58  H   UNL     1       1.421  -0.820   2.818  1.00  0.00           H  
HETATM   59  H   UNL     1       0.366   0.993   1.557  1.00  0.00           H  
HETATM   60  H   UNL     1       0.018  -0.959  -0.656  1.00  0.00           H  
HETATM   61  HA  UNL     1      -1.291  -1.566   1.640  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.382  -0.777   3.948  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.254   1.226   1.309  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.808  -5.305  -0.932  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.679   4.381   1.497  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.512   5.674   0.822  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.994   2.229  -1.325  1.00  0.00           H  
HETATM   68  H   UNL     1       1.571   2.833  -1.253  1.00  0.00           H  
CONECT    1   20   11   10   10                                       
CONECT    2   11   12   43   44                                       
CONECT    3   32    4   34   34                                       
CONECT    4   42   42    3   38                                       
CONECT    5   34    7                                                 
CONECT    6    7   45   46   47                                       
CONECT    7    6    5   35    8                                       
CONECT    8    7   48   49   50                                       
CONECT    9   12   12   18   51                                       
CONECT   10    1    1                                                 
CONECT   11    1    2   52                                            
CONECT   12   13    2    9    9                                       
CONECT   13   14   15   12                                            
CONECT   14   13   53                                                 
CONECT   15   13   16   16   54                                       
CONECT   16   15   15   17   18                                       
CONECT   17   16   55                                                 
CONECT   18   16   19   19    9                                       
CONECT   19   18   18                                                 
CONECT   20   21    1   56                                            
CONECT   21   20   22   57   58                                       
CONECT   22   21   28   23   59                                       
CONECT   23   22   24   60                                            
CONECT   24   27   27   25   25                                       
CONECT   24   23   26                                                 
CONECT   25   24   24                                                 
CONECT   26   24   68                                                 
CONECT   27   24   24                                                 
CONECT   28   22   29   31   61                                       
CONECT   29   28   30   30   62                                       
CONECT   30   29   29                                                 
CONECT   31   28   32   63                                            
CONECT   32   33   33   31    3                                       
CONECT   33   32   32                                                 
CONECT   34    3    3    5                                            
CONECT   35   36   36    7   37                                       
CONECT   36   35   35                                                 
CONECT   37   35   64                                                 
CONECT   38    4   39   39                                            
CONECT   39   41   38   38   40                                       
CONECT   40   39   65   66                                            
CONECT   41   42   39                                                 
CONECT   42    4    4   41   67                                       
CONECT   43    2                                                      
CONECT   44    2                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52   11                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   17                                                      
CONECT   56   20                                                      
CONECT   57   21                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   23                                                      
CONECT   61   28                                                      
CONECT   62   29                                                      
CONECT   63   31                                                      
CONECT   64   37                                                      
CONECT   65   40                                                      
CONECT   66   40                                                      
CONECT   67   42                                                      
CONECT   68   26                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
