COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.774   1.067  -3.282  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.103  -1.782  -0.705  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.226   0.609  -1.039  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.289   0.265  -2.528  1.00  0.00           C  
HETATM    5  C   UNL     1       0.796   0.633  -4.749  1.00  0.00           C  
HETATM    6  C   UNL     1       0.444   2.559  -3.197  1.00  0.00           C  
HETATM    7  C   UNL     1       4.448   1.456  -0.219  1.00  0.00           C  
HETATM    8  C   UNL     1       5.673   0.834   0.401  1.00  0.00           C  
HETATM    9  C   UNL     1       7.633  -0.523   0.213  1.00  0.00           C  
HETATM   10  C   UNL     1       8.501  -1.330  -0.543  1.00  0.00           C  
HETATM   11  C   UNL     1       9.599  -1.875   0.047  1.00  0.00           C  
HETATM   12  C   UNL     1       9.060  -0.872   2.157  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.714   2.665   0.909  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.350  -0.086  -0.315  1.00  0.00           C  
HETATM   15  C   UNL     1       2.143   0.958  -0.585  1.00  0.00           C  
HETATM   16  C   UNL     1       6.490   0.058  -0.362  1.00  0.00           C  
HETATM   17  C   UNL     1       9.877  -1.647   1.394  1.00  0.00           C  
HETATM   18  C   UNL     1       7.917  -0.290   1.582  1.00  0.00           C  
HETATM   19  C   UNL     1       7.055   0.525   2.335  1.00  0.00           C  
HETATM   20  C   UNL     1       5.954   1.067   1.745  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.723  -0.506   0.049  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.935   0.424   0.121  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.572   1.673   0.928  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.401   1.320   2.423  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.983   2.575   3.112  1.00  0.00           C  
HETATM   26  N   UNL     1       1.057   0.165  -0.488  1.00  0.00           N  
HETATM   27  N   UNL     1      -2.629   0.169  -0.655  1.00  0.00           N  
HETATM   28  N   UNL     1      -5.925   3.150   2.145  1.00  0.00           N  
HETATM   29  O   UNL     1      -1.104  -0.874   0.573  1.00  0.00           O  
HETATM   30  O   UNL     1      -6.343   2.981  -0.079  1.00  0.00           O  
HETATM   31  O   UNL     1      -2.950  -2.614  -0.847  1.00  0.00           O  
HETATM   32  O   UNL     1       3.322   0.550  -0.079  1.00  0.00           O  
HETATM   33  O   UNL     1       2.057   2.042  -1.128  1.00  0.00           O  
HETATM   34  H   UNL     1       1.752   0.885  -2.835  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.486  -1.521  -1.691  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.323   1.687  -0.910  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.276   0.515  -2.917  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.103  -0.800  -2.663  1.00  0.00           H  
HETATM   39  H   UNL     1       1.554   1.204  -5.286  1.00  0.00           H  
HETATM   40  H   UNL     1       1.032  -0.430  -4.810  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.181   0.814  -5.196  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.533   2.740  -3.644  1.00  0.00           H  
HETATM   43  H   UNL     1       0.428   2.868  -2.151  1.00  0.00           H  
HETATM   44  H   UNL     1       1.201   3.130  -3.734  1.00  0.00           H  
HETATM   45  H   UNL     1       4.223   2.396   0.284  1.00  0.00           H  
HETATM   46  H   UNL     1       4.633   1.645  -1.277  1.00  0.00           H  
HETATM   47  H   UNL     1       8.297  -1.516  -1.587  1.00  0.00           H  
HETATM   48  H   UNL     1      10.264  -2.495  -0.536  1.00  0.00           H  
HETATM   49  H   UNL     1       9.288  -0.704   3.199  1.00  0.00           H  
HETATM   50  H   UNL     1       6.261  -0.111  -1.404  1.00  0.00           H  
HETATM   51  H   UNL     1      10.755  -2.092   1.839  1.00  0.00           H  
HETATM   52  H   UNL     1       7.263   0.717   3.377  1.00  0.00           H  
HETATM   53  H   UNL     1       5.290   1.687   2.329  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.401  -0.763   1.059  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.229   0.716  -0.887  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.762  -0.094   0.606  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.664   2.129   0.535  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.976   0.431   2.683  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.349   1.189   2.675  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.505   2.295   4.027  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.188   3.286   3.334  1.00  0.00           H  
HETATM   62  H   UNL     1       1.125  -0.700  -0.055  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.826   0.800  -1.365  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.613   3.797   2.369  1.00  0.00           H  
HETATM   65  S   UNL     1      -5.381  -2.675   0.223  1.00  0.00           S  
HETATM   66  O   UNL     1      -5.776  -3.848  -0.475  1.00  0.00           O  
HETATM   67  O   UNL     1      -5.055  -2.719   1.605  1.00  0.00           O  
HETATM   68  O   UNL     1      -6.602  -1.769   0.154  1.00  0.00           O  
HETATM   69  H   UNL     1      -2.224  -2.200  -1.334  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.378  -2.119   0.614  1.00  0.00           H  
CONECT    1    4    5    6   34                                       
CONECT    2   31   21   35   65                                       
CONECT    3   14   26    4   36                                       
CONECT    4    3    1   37   38                                       
CONECT    5    1   39   40   41                                       
CONECT    6    1   42   43   44                                       
CONECT    7    8   32   45   46                                       
CONECT    8   20   20   16    7                                       
CONECT    9   18   10   16   16                                       
CONECT   10   11   11    9   47                                       
CONECT   11   17   10   10   48                                       
CONECT   12   17   17   18   49                                       
CONECT   13   28   30   30   23                                       
CONECT   14   27   29   29    3                                       
CONECT   15   33   33   32   26                                       
CONECT   16    9    9    8   50                                       
CONECT   17   12   12   11   51                                       
CONECT   18   12   19   19    9                                       
CONECT   19   18   18   20   52                                       
CONECT   20   19    8    8   53                                       
CONECT   21   22    2   27   54                                       
CONECT   22   23   21   55   56                                       
CONECT   23   13   22   24   57                                       
CONECT   24   25   23   58   59                                       
CONECT   25   28   24   60   61                                       
CONECT   26   15    3   62                                            
CONECT   27   21   14   63                                            
CONECT   28   13   25   64                                            
CONECT   29   14   14                                                 
CONECT   30   13   13                                                 
CONECT   31    2   69                                                 
CONECT   32    7   15                                                 
CONECT   33   15   15                                                 
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   16                                                      
CONECT   51   17                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   21                                                      
CONECT   55   22                                                      
CONECT   56   22                                                      
CONECT   57   23                                                      
CONECT   58   24                                                      
CONECT   59   24                                                      
CONECT   60   25                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   27                                                      
CONECT   64   28                                                      
CONECT   65    2   66   66   67                                       
CONECT   65   67   68                                                 
CONECT   66   65   65                                                 
CONECT   67   65   65                                                 
CONECT   68   65   70                                                 
CONECT   69   31                                                      
CONECT   70   68                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
