COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  CA  UNL     1      -2.842   0.781  -0.026  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.590  -0.160  -0.314  1.00  0.00           C  
HETATM    3  C   UNL     1       0.884   0.176  -0.079  1.00  0.00           C  
HETATM    4  C   UNL     1       1.428   0.913  -1.275  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.945  -1.474   0.311  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.619   0.068   2.277  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.549   0.471  -1.321  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.048  -0.406   0.939  1.00  0.00           C  
HETATM    9  C   UNL     1       1.946   1.044  -3.653  1.00  0.00           C  
HETATM   10  C   UNL     1       1.177   0.454   2.323  1.00  0.00           C  
HETATM   11  C   UNL     1       1.305   1.322   3.549  1.00  0.00           C  
HETATM   12  C   UNL     1       2.753   0.086   5.174  1.00  0.00           C  
HETATM   13  C   UNL     1       1.484   0.451   4.765  1.00  0.00           C  
HETATM   14  C   UNL     1       0.378   0.020   5.475  1.00  0.00           C  
HETATM   15  C   UNL     1       0.542  -0.782   6.589  1.00  0.00           C  
HETATM   16  C   UNL     1       1.811  -1.147   6.997  1.00  0.00           C  
HETATM   17  C   UNL     1       2.917  -0.712   6.290  1.00  0.00           C  
HETATM   18  C   UNL     1       2.728  -1.475  -6.353  1.00  0.00           C  
HETATM   19  C   UNL     1       1.583  -1.415  -7.126  1.00  0.00           C  
HETATM   20  C   UNL     1       0.556  -0.559  -6.775  1.00  0.00           C  
HETATM   21  C   UNL     1       0.674   0.236  -5.651  1.00  0.00           C  
HETATM   22  C   UNL     1       1.818   0.176  -4.878  1.00  0.00           C  
HETATM   23  C   UNL     1       2.847  -0.676  -5.232  1.00  0.00           C  
HETATM   24  N   UNL     1      -1.436   1.070  -0.319  1.00  0.00           N  
HETATM   25  N   UNL     1       1.008   1.020   1.112  1.00  0.00           N  
HETATM   26  N   UNL     1       1.417   0.327  -2.489  1.00  0.00           N  
HETATM   27  O   UNL     1       1.875   2.032  -1.146  1.00  0.00           O  
HETATM   28  O   UNL     1       1.226  -0.752   2.428  1.00  0.00           O  
HETATM   29  O   UNL     1      -2.936  -0.010  -2.244  1.00  0.00           O  
HETATM   30  OXT UNL     1      -4.860   0.730  -1.448  1.00  0.00           O  
HETATM   31  S   UNL     1      -1.324  -1.028   1.142  1.00  0.00           S  
HETATM   32  HA  UNL     1      -3.296   1.670   0.411  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.721  -0.737  -1.229  1.00  0.00           H  
HETATM   34  H   UNL     1       1.447  -0.745   0.067  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.029  -2.323   0.990  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.935  -1.056   0.129  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.511  -1.804  -0.631  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.703  -0.778   2.957  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.957   0.818   2.709  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.606   0.503   2.116  1.00  0.00           H  
HETATM   41  H   UNL     1       1.382   1.965  -3.799  1.00  0.00           H  
HETATM   42  H   UNL     1       2.996   1.283  -3.485  1.00  0.00           H  
HETATM   43  H   UNL     1       2.169   1.977   3.441  1.00  0.00           H  
HETATM   44  H   UNL     1       0.404   1.925   3.663  1.00  0.00           H  
HETATM   45  H   UNL     1       3.616   0.426   4.621  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.612   0.306   5.156  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.321  -1.122   7.141  1.00  0.00           H  
HETATM   48  H   UNL     1       1.939  -1.772   7.868  1.00  0.00           H  
HETATM   49  H   UNL     1       3.908  -0.998   6.609  1.00  0.00           H  
HETATM   50  H   UNL     1       3.530  -2.144  -6.627  1.00  0.00           H  
HETATM   51  H   UNL     1       1.491  -2.038  -8.004  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.337  -0.512  -7.379  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.128   0.905  -5.377  1.00  0.00           H  
HETATM   54  H   UNL     1       3.741  -0.723  -4.628  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.405   1.439  -1.258  1.00  0.00           H  
HETATM   56  H   UNL     1       0.969   1.985   1.028  1.00  0.00           H  
HETATM   57  H   UNL     1       1.059  -0.567  -2.593  1.00  0.00           H  
HETATM   58  HXT UNL     1      -5.314   0.531  -2.279  1.00  0.00           H  
CONECT    1    7    8   24   32                                       
CONECT    2    3   24   31   33                                       
CONECT    3    2    4   25   34                                       
CONECT    4    3   26   27   27                                       
CONECT    5    8   35   36   37                                       
CONECT    6    8   38   39   40                                       
CONECT    7    1   29   29   30                                       
CONECT    8    1    5    6   31                                       
CONECT    9   22   26   41   42                                       
CONECT   10   11   25   28   28                                       
CONECT   11   10   13   43   44                                       
CONECT   12   13   13   17   45                                       
CONECT   13   11   12   12   14                                       
CONECT   14   13   15   15   46                                       
CONECT   15   14   14   16   47                                       
CONECT   16   15   17   17   48                                       
CONECT   17   12   16   16   49                                       
CONECT   18   19   19   23   50                                       
CONECT   19   18   18   20   51                                       
CONECT   20   19   21   21   52                                       
CONECT   21   20   20   22   53                                       
CONECT   22    9   21   23   23                                       
CONECT   23   18   22   22   54                                       
CONECT   24    1    2   55                                            
CONECT   25    3   10   56                                            
CONECT   26    4    9   57                                            
CONECT   27    4    4                                                 
CONECT   28   10   10                                                 
CONECT   29    7    7                                                 
CONECT   30    7   58                                                 
CONECT   31    2    8                                                 
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43   11                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   18                                                      
CONECT   51   19                                                      
CONECT   52   20                                                      
CONECT   53   21                                                      
CONECT   54   23                                                      
CONECT   55   24                                                      
CONECT   56   25                                                      
CONECT   57   26                                                      
CONECT   58   30                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
