COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.394   1.205   0.093  1.00  0.00           C  
HETATM    2  C   UNL     1       5.514  -0.553   1.508  1.00  0.00           C  
HETATM    3  C   UNL     1       7.943  -0.184   1.969  1.00  0.00           C  
HETATM    4  C   UNL     1       9.551  -0.530   0.251  1.00  0.00           C  
HETATM    5  C   UNL     1      10.005  -1.250  -2.334  1.00  0.00           C  
HETATM    6  C   UNL     1       8.497  -0.894  -0.622  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.447   3.746  -1.027  1.00  0.00           C  
HETATM    8  CA  UNL     1      -3.654   2.782  -0.183  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.193   2.788  -0.638  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.364   1.906   0.298  1.00  0.00           C  
HETATM   11  C   UNL     1       0.956   1.199   0.541  1.00  0.00           C  
HETATM   12  C   UNL     1       3.224   0.323   1.028  1.00  0.00           C  
HETATM   13  C   UNL     1       4.684   0.329   0.573  1.00  0.00           C  
HETATM   14  C   UNL     1       6.952  -0.547   1.060  1.00  0.00           C  
HETATM   15  C   UNL     1       9.252  -0.169   1.577  1.00  0.00           C  
HETATM   16  C   UNL     1      10.874  -0.539  -0.227  1.00  0.00           C  
HETATM   17  C   UNL     1      11.086  -0.903  -1.527  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.247   1.043   0.431  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.804  -0.317   0.282  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.968  -2.396  -0.567  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.027  -2.491   0.348  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.766  -3.670   0.449  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.458  -4.746  -0.350  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.411  -4.661  -1.259  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.678  -3.522  -1.374  1.00  0.00           C  
HETATM   26  N   UNL     1       0.035   1.912  -0.138  1.00  0.00           N  
HETATM   27  N   UNL     1       8.774  -1.239  -1.884  1.00  0.00           N  
HETATM   28  N   UNL     1       7.237  -0.883  -0.175  1.00  0.00           N  
HETATM   29  N   UNL     1      -4.206   1.433  -0.331  1.00  0.00           N  
HETATM   30  N   UNL     1      -5.365  -1.207  -0.542  1.00  0.00           N  
HETATM   31  O   UNL     1      -5.378   3.346  -1.686  1.00  0.00           O  
HETATM   32  OXT UNL     1      -4.119   5.047  -1.048  1.00  0.00           O  
HETATM   33  O   UNL     1       0.626   0.553   1.513  1.00  0.00           O  
HETATM   34  O   UNL     1      -5.727   1.811   1.242  1.00  0.00           O  
HETATM   35  S   UNL     1      -7.155  -0.958   1.207  1.00  0.00           S  
HETATM   36  H   UNL     1       2.460   0.819  -0.924  1.00  0.00           H  
HETATM   37  H   UNL     1       2.779   2.225   0.119  1.00  0.00           H  
HETATM   38  H   UNL     1       5.448  -0.166   2.525  1.00  0.00           H  
HETATM   39  H   UNL     1       5.129  -1.572   1.482  1.00  0.00           H  
HETATM   40  H   UNL     1       7.677   0.088   2.980  1.00  0.00           H  
HETATM   41  H   UNL     1      10.186  -1.535  -3.360  1.00  0.00           H  
HETATM   42  HA  UNL     1      -3.710   3.085   0.863  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.128   2.402  -1.655  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.809   3.808  -0.611  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.429   2.293   1.315  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.748   0.887   0.271  1.00  0.00           H  
HETATM   47  H   UNL     1       3.158   0.710   2.045  1.00  0.00           H  
HETATM   48  H   UNL     1       2.839  -0.696   1.002  1.00  0.00           H  
HETATM   49  H   UNL     1       5.069   1.349   0.599  1.00  0.00           H  
HETATM   50  H   UNL     1       4.750  -0.057  -0.444  1.00  0.00           H  
HETATM   51  H   UNL     1      10.035   0.114   2.265  1.00  0.00           H  
HETATM   52  H   UNL     1      11.699  -0.266   0.415  1.00  0.00           H  
HETATM   53  H   UNL     1      12.089  -0.922  -1.928  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.580  -3.738   1.156  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.030  -5.659  -0.270  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.176  -5.511  -1.883  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.868  -3.475  -2.087  1.00  0.00           H  
HETATM   58  H   UNL     1       0.299   2.429  -0.915  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.822   0.821  -0.978  1.00  0.00           H  
HETATM   60  HXT UNL     1      -4.657   5.627  -1.605  1.00  0.00           H  
CONECT    1   11   12   36   37                                       
CONECT    2   13   14   38   39                                       
CONECT    3   14   14   15   40                                       
CONECT    4    6   16   15   15                                       
CONECT    5   27   27   17   41                                       
CONECT    6   27   28   28    4                                       
CONECT    7   31   31   32    8                                       
CONECT    8    7    9   29   42                                       
CONECT    9    8   10   43   44                                       
CONECT   10    9   26   45   46                                       
CONECT   11   33   33   26    1                                       
CONECT   12    1   13   47   48                                       
CONECT   13   12    2   49   50                                       
CONECT   14   28    2    3    3                                       
CONECT   15    4    4    3   51                                       
CONECT   16   17   17    4   52                                       
CONECT   17    5   16   16   53                                       
CONECT   18   29   19   34   34                                       
CONECT   19   30   30   18   35                                       
CONECT   20   30   25   25   21                                       
CONECT   21   20   35   22   22                                       
CONECT   22   21   21   23   54                                       
CONECT   23   24   24   22   55                                       
CONECT   24   25   23   23   56                                       
CONECT   25   20   20   24   57                                       
CONECT   26   11   10   58                                            
CONECT   27    5    5    6                                            
CONECT   28    6    6   14                                            
CONECT   29    8   18   59                                            
CONECT   30   20   19   19                                            
CONECT   31    7    7                                                 
CONECT   32    7   60                                                 
CONECT   33   11   11                                                 
CONECT   34   18   18                                                 
CONECT   35   19   21                                                 
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    5                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   12                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   22                                                      
CONECT   55   23                                                      
CONECT   56   24                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   29                                                      
CONECT   60   32                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
