COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.201  -0.289  -1.114  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.861   1.533  -0.161  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.957   1.164   0.540  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.194   0.360   0.650  1.00  0.00           C  
HETATM    5  N   UNL     1      -5.123   0.457   1.655  1.00  0.00           N  
HETATM    6  C   UNL     1      -6.125  -0.418   1.452  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.866  -1.117   0.288  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.695  -2.165  -0.312  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.504  -3.603   0.096  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.883  -1.027  -1.482  1.00  0.00           C  
HETATM   11  C   UNL     1       6.507  -0.827  -1.560  1.00  0.00           C  
HETATM   12  C   UNL     1       7.340  -1.784  -0.705  1.00  0.00           C  
HETATM   13  C   UNL     1       9.100  -1.174   2.561  1.00  0.00           C  
HETATM   14  C   UNL     1       8.585  -1.974   1.363  1.00  0.00           C  
HETATM   15  C   UNL     1       6.456  -0.822   1.336  1.00  0.00           C  
HETATM   16  C   UNL     1       5.596   0.163   0.542  1.00  0.00           C  
HETATM   17  C   UNL     1       5.225  -0.461  -0.806  1.00  0.00           C  
HETATM   18  C   UNL     1       4.416   0.542  -1.630  1.00  0.00           C  
HETATM   19  C   UNL     1       2.559   2.084  -1.427  1.00  0.00           C  
HETATM   20  C   UNL     1       1.282   2.381  -0.638  1.00  0.00           C  
HETATM   21  C   UNL     1       0.923   0.007  -0.325  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.835   2.378   1.107  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.327  -0.603   2.343  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.598  -0.592  -0.229  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.362  -0.181  -2.663  1.00  0.00           C  
HETATM   26  N   UNL     1       7.670  -1.140   0.573  1.00  0.00           N  
HETATM   27  N   UNL     1       3.146   0.824  -0.948  1.00  0.00           N  
HETATM   28  N   UNL     1       0.337   1.267  -0.804  1.00  0.00           N  
HETATM   29  N   UNL     1      -1.886   0.739  -0.130  1.00  0.00           N  
HETATM   30  O   UNL     1      -7.535  -1.876  -1.139  1.00  0.00           O  
HETATM   31  S   UNL     1      -1.225   2.997   0.746  1.00  0.00           S  
HETATM   32  H   UNL     1       2.653  -1.208  -0.741  1.00  0.00           H  
HETATM   33  H   UNL     1       1.958  -0.406  -2.170  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.065   1.069   2.406  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.141  -4.242  -0.515  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.462  -3.887  -0.047  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.772  -3.721   1.146  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.809  -0.895  -1.352  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.099  -2.078  -1.677  1.00  0.00           H  
HETATM   40  H   UNL     1       7.082   0.077  -1.760  1.00  0.00           H  
HETATM   41  H   UNL     1       6.249  -1.312  -2.502  1.00  0.00           H  
HETATM   42  H   UNL     1       6.770  -2.694  -0.516  1.00  0.00           H  
HETATM   43  H   UNL     1       8.260  -2.035  -1.232  1.00  0.00           H  
HETATM   44  H   UNL     1       9.630  -0.290   2.206  1.00  0.00           H  
HETATM   45  H   UNL     1       8.259  -0.868   3.183  1.00  0.00           H  
HETATM   46  H   UNL     1       9.779  -1.793   3.147  1.00  0.00           H  
HETATM   47  H   UNL     1       9.426  -2.280   0.741  1.00  0.00           H  
HETATM   48  H   UNL     1       8.055  -2.859   1.718  1.00  0.00           H  
HETATM   49  H   UNL     1       6.734  -0.375   2.290  1.00  0.00           H  
HETATM   50  H   UNL     1       5.890  -1.736   1.515  1.00  0.00           H  
HETATM   51  H   UNL     1       4.688   0.387   1.101  1.00  0.00           H  
HETATM   52  H   UNL     1       6.156   1.083   0.375  1.00  0.00           H  
HETATM   53  H   UNL     1       4.631  -1.360  -0.640  1.00  0.00           H  
HETATM   54  H   UNL     1       4.984   1.467  -1.736  1.00  0.00           H  
HETATM   55  H   UNL     1       4.215   0.124  -2.616  1.00  0.00           H  
HETATM   56  H   UNL     1       2.320   1.994  -2.487  1.00  0.00           H  
HETATM   57  H   UNL     1       3.273   2.895  -1.283  1.00  0.00           H  
HETATM   58  H   UNL     1       1.525   2.497   0.418  1.00  0.00           H  
HETATM   59  H   UNL     1       0.829   3.300  -1.012  1.00  0.00           H  
HETATM   60  H   UNL     1       0.210  -0.804  -0.470  1.00  0.00           H  
HETATM   61  H   UNL     1       1.163   0.097   0.734  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.592   2.886   1.686  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.101   0.111   2.062  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.710  -1.617   2.230  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.039  -0.437   3.381  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.845  -0.496  -3.569  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.436  -0.313  -2.793  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.147   0.870  -2.468  1.00  0.00           H  
CONECT    1   21   27   32   33                                       
CONECT    2   29   29   31   28                                       
CONECT    3    4   22   22   29                                       
CONECT    4   24   24    3    5                                       
CONECT    5    4    6   34                                            
CONECT    6    7    7   23    5                                       
CONECT    7    8   24    6    6                                       
CONECT    8    9   30   30    7                                       
CONECT    9    8   35   36   37                                       
CONECT   10   25   24   38   39                                       
CONECT   11   17   12   40   41                                       
CONECT   12   11   26   42   43                                       
CONECT   13   14   44   45   46                                       
CONECT   14   26   13   47   48                                       
CONECT   15   16   26   49   50                                       
CONECT   16   17   15   51   52                                       
CONECT   17   18   11   16   53                                       
CONECT   18   27   17   54   55                                       
CONECT   19   20   27   56   57                                       
CONECT   20   19   28   58   59                                       
CONECT   21   28    1   60   61                                       
CONECT   22    3    3   31   62                                       
CONECT   23    6   63   64   65                                       
CONECT   24   10    7    4    4                                       
CONECT   25   10   66   67   68                                       
CONECT   26   12   14   15                                            
CONECT   27   19    1   18                                            
CONECT   28    2   20   21                                            
CONECT   29    3    2    2                                            
CONECT   30    8    8                                                 
CONECT   31   22    2                                                 
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    5                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   18                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   23                                                      
CONECT   65   23                                                      
CONECT   66   25                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
