COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.391   2.932   0.305  1.00  0.00           C  
HETATM    2  C   UNL     1       1.819   1.113  -1.798  1.00  0.00           C  
HETATM    3  C   UNL     1       2.767   1.416  -2.929  1.00  0.00           C  
HETATM    4  C   UNL     1       0.925   3.344   0.968  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.184   1.633  -0.476  1.00  0.00           C  
HETATM    6  C   UNL     1       3.391  -2.065   0.013  1.00  0.00           C  
HETATM    7  N   UNL     1       0.700   1.884  -1.616  1.00  0.00           N  
HETATM    8  N   UNL     1       2.060   0.125  -0.999  1.00  0.00           N  
HETATM    9  S   UNL     1       3.427  -0.787  -1.200  1.00  0.00           S  
HETATM   10  O   UNL     1       3.275  -1.440  -2.453  1.00  0.00           O  
HETATM   11  O   UNL     1       4.512   0.057  -0.838  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.515   1.129  -0.973  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.493   0.829  -0.096  1.00  0.00           N  
HETATM   14  O   UNL     1      -1.705   0.992  -2.163  1.00  0.00           O  
HETATM   15  C   UNL     1      -3.774   0.307  -0.578  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.522  -0.913  -1.459  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.633  -1.916  -0.723  1.00  0.00           C  
HETATM   18  S   UNL     1      -3.520  -2.556   0.726  1.00  0.00           S  
HETATM   19  C   UNL     1      -3.873  -0.985   1.564  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.645  -0.073   0.617  1.00  0.00           C  
HETATM   21  C   UNL     1       4.059  -1.899   1.212  1.00  0.00           C  
HETATM   22  C   UNL     1       4.027  -2.900   2.165  1.00  0.00           C  
HETATM   23  C   UNL     1       3.334  -4.070   1.915  1.00  0.00           C  
HETATM   24  C   UNL     1       2.671  -4.238   0.714  1.00  0.00           C  
HETATM   25  C   UNL     1       2.700  -3.235  -0.237  1.00  0.00           C  
HETATM   26  C   UNL     1       1.428   2.214   1.890  1.00  0.00           C  
HETATM   27  C   UNL     1       2.044   2.959   3.101  1.00  0.00           C  
HETATM   28  C   UNL     1       1.076   4.152   3.298  1.00  0.00           C  
HETATM   29  C   UNL     1       0.702   4.576   1.862  1.00  0.00           C  
HETATM   30  C   UNL     1       1.975   3.655  -0.101  1.00  0.00           C  
HETATM   31  O   UNL     1      -4.744  -3.139   0.300  1.00  0.00           O  
HETATM   32  O   UNL     1      -2.620  -3.315   1.522  1.00  0.00           O  
HETATM   33  N   UNL     1      -4.771   2.544  -0.541  1.00  0.00           N  
HETATM   34  C   UNL     1      -4.484   1.386  -1.398  1.00  0.00           C  
HETATM   35  H   UNL     1      -0.716   3.718  -0.377  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.152   2.779   1.071  1.00  0.00           H  
HETATM   37  H   UNL     1       3.590   0.702  -2.914  1.00  0.00           H  
HETATM   38  H   UNL     1       2.237   1.339  -3.878  1.00  0.00           H  
HETATM   39  H   UNL     1       3.159   2.426  -2.813  1.00  0.00           H  
HETATM   40  H   UNL     1       0.267   0.885   0.177  1.00  0.00           H  
HETATM   41  H   UNL     1       0.495   2.595  -2.242  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.349   0.960   0.854  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.474  -1.385  -1.703  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.029  -0.600  -2.378  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.385  -2.741  -1.391  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.717  -1.422  -0.399  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.470  -1.175   2.456  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.936  -0.506   1.849  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.940   0.833   1.147  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.538  -0.590   0.264  1.00  0.00           H  
HETATM   51  H   UNL     1       4.600  -0.985   1.407  1.00  0.00           H  
HETATM   52  H   UNL     1       4.545  -2.769   3.103  1.00  0.00           H  
HETATM   53  H   UNL     1       3.312  -4.853   2.659  1.00  0.00           H  
HETATM   54  H   UNL     1       2.130  -5.152   0.519  1.00  0.00           H  
HETATM   55  H   UNL     1       2.181  -3.367  -1.175  1.00  0.00           H  
HETATM   56  H   UNL     1       0.597   1.586   2.211  1.00  0.00           H  
HETATM   57  H   UNL     1       2.186   1.616   1.384  1.00  0.00           H  
HETATM   58  H   UNL     1       3.049   3.311   2.867  1.00  0.00           H  
HETATM   59  H   UNL     1       2.054   2.320   3.984  1.00  0.00           H  
HETATM   60  H   UNL     1       1.578   4.969   3.818  1.00  0.00           H  
HETATM   61  H   UNL     1       0.189   3.837   3.846  1.00  0.00           H  
HETATM   62  H   UNL     1       1.342   5.395   1.536  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.344   4.881   1.824  1.00  0.00           H  
HETATM   64  H   UNL     1       1.567   4.374  -0.811  1.00  0.00           H  
HETATM   65  H   UNL     1       2.862   4.075   0.373  1.00  0.00           H  
HETATM   66  H   UNL     1       2.242   2.738  -0.625  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.880   2.909  -0.239  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.186   3.247  -1.134  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.842   1.695  -2.224  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.417   0.986  -1.794  1.00  0.00           H  
CONECT    1    4    5   35   36                                       
CONECT    2    3    7    8    8                                       
CONECT    3    2   37   38   39                                       
CONECT    4    1   26   29   30                                       
CONECT    5    1    7   12   40                                       
CONECT    6    9   21   25   25                                       
CONECT    7    2    5   41                                            
CONECT    8    2    2    9                                            
CONECT    9    6    8   10   10                                       
CONECT    9   11   11                                                 
CONECT   10    9    9                                                 
CONECT   11    9    9                                                 
CONECT   12    5   13   14   14                                       
CONECT   13   12   15   42                                            
CONECT   14   12   12                                                 
CONECT   15   13   16   20   34                                       
CONECT   16   15   17   43   44                                       
CONECT   17   16   18   45   46                                       
CONECT   18   17   19   31   31                                       
CONECT   18   32   32                                                 
CONECT   19   18   20   47   48                                       
CONECT   20   15   19   49   50                                       
CONECT   21    6   22   22   51                                       
CONECT   22   21   21   23   52                                       
CONECT   23   22   24   24   53                                       
CONECT   24   23   23   25   54                                       
CONECT   25    6    6   24   55                                       
CONECT   26    4   27   56   57                                       
CONECT   27   26   28   58   59                                       
CONECT   28   27   29   60   61                                       
CONECT   29    4   28   62   63                                       
CONECT   30    4   64   65   66                                       
CONECT   31   18   18                                                 
CONECT   32   18   18                                                 
CONECT   33   34   67   68                                            
CONECT   34   15   33   69   70                                       
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    3                                                      
CONECT   38    3                                                      
CONECT   39    3                                                      
CONECT   40    5                                                      
CONECT   41    7                                                      
CONECT   42   13                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   17                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   22                                                      
CONECT   53   23                                                      
CONECT   54   24                                                      
CONECT   55   25                                                      
CONECT   56   26                                                      
CONECT   57   26                                                      
CONECT   58   27                                                      
CONECT   59   27                                                      
CONECT   60   28                                                      
CONECT   61   28                                                      
CONECT   62   29                                                      
CONECT   63   29                                                      
CONECT   64   30                                                      
CONECT   65   30                                                      
CONECT   66   30                                                      
CONECT   67   33                                                      
CONECT   68   33                                                      
CONECT   69   34                                                      
CONECT   70   34                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
