COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.108   1.431   0.682  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.564   0.701   0.949  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.942  -0.581  -2.137  1.00  0.00           C  
HETATM    4  C   UNL     1       2.204  -0.188  -1.401  1.00  0.00           C  
HETATM    5  O   UNL     1      -6.160  -1.201  -0.290  1.00  0.00           O  
HETATM    6  C   UNL     1       0.474  -1.542  -0.440  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.953  -1.266  -2.304  1.00  0.00           O  
HETATM    8  CA  UNL     1      -3.366  -0.215  -0.765  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.097  -0.117  -0.647  1.00  0.00           C  
HETATM   10  OXT UNL     1      -3.652  -0.155  -3.198  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.644  -0.638   0.495  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.675  -0.372   1.619  1.00  0.00           C  
HETATM   13  C   UNL     1       1.198   0.737  -0.684  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.479  -1.634   1.940  1.00  0.00           C  
HETATM   15  C   UNL     1       7.559   0.156   0.526  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.029   0.496   1.338  1.00  0.00           C  
HETATM   17  C   UNL     1       7.412   2.540   0.244  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.877   1.624   0.746  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.389   2.968   1.289  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.511  -0.828   0.804  1.00  0.00           C  
HETATM   21  C   UNL     1       3.566  -0.048  -0.772  1.00  0.00           C  
HETATM   22  C   UNL     1       5.617   1.130  -0.508  1.00  0.00           C  
HETATM   23  C   UNL     1       6.172   2.394  -0.349  1.00  0.00           C  
HETATM   24  C   UNL     1       8.298  -1.032   1.000  1.00  0.00           C  
HETATM   25  C   UNL     1       6.310   0.009  -0.077  1.00  0.00           C  
HETATM   26  O   UNL     1      -7.329  -1.593   1.544  1.00  0.00           O  
HETATM   27  S   UNL     1      -1.155   0.368   0.745  1.00  0.00           S  
HETATM   28  N   UNL     1       1.717  -1.570  -1.240  1.00  0.00           N  
HETATM   29  O   UNL     1       3.948  -0.867   0.037  1.00  0.00           O  
HETATM   30  N   UNL     1       4.361   0.987  -1.108  1.00  0.00           N  
HETATM   31  O   UNL     1       7.819  -2.139   0.864  1.00  0.00           O  
HETATM   32  O   UNL     1       9.504  -0.886   1.583  1.00  0.00           O  
HETATM   33  N   UNL     1      -4.387   0.497  -0.493  1.00  0.00           N  
HETATM   34  O   UNL     1      -6.757   1.612  -0.678  1.00  0.00           O  
HETATM   35  H   UNL     1       9.074   1.550   1.149  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.232   1.699   1.234  1.00  0.00           H  
HETATM   37  H   UNL     1       2.256   0.066  -2.459  1.00  0.00           H  
HETATM   38  H   UNL     1       0.697  -1.712   0.613  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.229  -2.291  -0.804  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.639  -0.046  -1.590  1.00  0.00           H  
HETATM   41  HXT UNL     1      -3.336  -0.419  -4.073  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.386  -1.697   0.451  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.190   0.021   2.513  1.00  0.00           H  
HETATM   44  H   UNL     1       1.537   0.967   0.326  1.00  0.00           H  
HETATM   45  H   UNL     1       1.040   1.652  -1.256  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.884  -2.051   1.018  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.829  -2.368   2.416  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.297  -1.381   2.615  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.121   0.505   2.424  1.00  0.00           H  
HETATM   50  H   UNL     1       7.838   3.525   0.365  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.921   1.478   1.024  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.992   3.771   0.867  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.480   2.977   2.375  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.345   3.114   1.011  1.00  0.00           H  
HETATM   55  H   UNL     1       5.630   3.265  -0.684  1.00  0.00           H  
HETATM   56  H   UNL     1       5.881  -0.974  -0.201  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.611  -2.434   1.158  1.00  0.00           H  
HETATM   58  H   UNL     1       2.416  -2.151  -0.802  1.00  0.00           H  
HETATM   59  H   UNL     1       4.062   1.634  -1.767  1.00  0.00           H  
HETATM   60  H   UNL     1       9.950  -1.693   1.877  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.269   2.302  -1.121  1.00  0.00           H  
CONECT    1   17   17   15   35                                       
CONECT    2   16   33   12   36                                       
CONECT    3    8    7    7   10                                       
CONECT    4   13   28   21   37                                       
CONECT    5   20   20                                                 
CONECT    6    9   28   38   39                                       
CONECT    7    3    3                                                 
CONECT    8   33   33   11    3                                       
CONECT    9   13    6   27   40                                       
CONECT   10    3   41                                                 
CONECT   11   12    8   27   42                                       
CONECT   12    2   14   11   43                                       
CONECT   13    9    4   44   45                                       
CONECT   14   12   46   47   48                                       
CONECT   15   25   25    1   24                                       
CONECT   16   18   20    2   49                                       
CONECT   17   23    1    1   50                                       
CONECT   18   19   34   16   51                                       
CONECT   19   18   52   53   54                                       
CONECT   20   16    5    5   26                                       
CONECT   21    4   29   29   30                                       
CONECT   22   30   23   23   25                                       
CONECT   23   22   22   17   55                                       
CONECT   24   15   31   31   32                                       
CONECT   25   22   15   15   56                                       
CONECT   26   20   57                                                 
CONECT   27   11    9                                                 
CONECT   28    6    4   58                                            
CONECT   29   21   21                                                 
CONECT   30   21   22   59                                            
CONECT   31   24   24                                                 
CONECT   32   24   60                                                 
CONECT   33    2    8    8                                            
CONECT   34   18   61                                                 
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    4                                                      
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   14                                                      
CONECT   49   16                                                      
CONECT   50   17                                                      
CONECT   51   18                                                      
CONECT   52   19                                                      
CONECT   53   19                                                      
CONECT   54   19                                                      
CONECT   55   23                                                      
CONECT   56   25                                                      
CONECT   57   26                                                      
CONECT   58   28                                                      
CONECT   59   30                                                      
CONECT   60   32                                                      
CONECT   61   34                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
