COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.369   0.878  -0.677  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.718   0.714  -0.120  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.696   1.614  -0.879  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.451   2.230   0.847  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.236   3.418  -0.437  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.868  -1.173  -0.227  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.768  -3.297  -0.117  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.426  -2.711   1.522  1.00  0.00           C  
HETATM    9  C   UNL     1       3.132  -2.020  -0.277  1.00  0.00           C  
HETATM   10  C   UNL     1       5.133  -1.456  -1.662  1.00  0.00           C  
HETATM   11  C   UNL     1       5.465   1.795   0.114  1.00  0.00           C  
HETATM   12  C   UNL     1       0.599   0.028   0.029  1.00  0.00           C  
HETATM   13  C   UNL     1       1.989   0.226  -0.578  1.00  0.00           C  
HETATM   14  N   UNL     1       2.954  -0.623   0.126  1.00  0.00           N  
HETATM   15  S   UNL     1       3.845  -0.002   1.376  1.00  0.00           S  
HETATM   16  O   UNL     1       3.160   1.162   1.818  1.00  0.00           O  
HETATM   17  O   UNL     1       4.151  -1.095   2.232  1.00  0.00           O  
HETATM   18  C   UNL     1       5.378   0.547   0.703  1.00  0.00           C  
HETATM   19  C   UNL     1       6.491  -0.271   0.765  1.00  0.00           C  
HETATM   20  C   UNL     1       7.694   0.157   0.238  1.00  0.00           C  
HETATM   21  C   UNL     1       7.785   1.410  -0.354  1.00  0.00           C  
HETATM   22  N   UNL     1       9.000   1.846  -0.887  1.00  0.00           N  
HETATM   23  C   UNL     1       6.665   2.229  -0.415  1.00  0.00           C  
HETATM   24  C   UNL     1       3.734  -2.073  -1.683  1.00  0.00           C  
HETATM   25  C   UNL     1       3.825  -3.529  -2.144  1.00  0.00           C  
HETATM   26  N   UNL     1      -4.042   1.450  -0.323  1.00  0.00           N  
HETATM   27  S   UNL     1      -5.100   0.383  -1.019  1.00  0.00           S  
HETATM   28  O   UNL     1      -4.675   0.216  -2.364  1.00  0.00           O  
HETATM   29  O   UNL     1      -6.404   0.823  -0.664  1.00  0.00           O  
HETATM   30  C   UNL     1      -5.606  -1.492   0.899  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.504  -3.618   1.017  1.00  0.00           C  
HETATM   32  N   UNL     1      -4.320  -4.852   1.644  1.00  0.00           N  
HETATM   33  C   UNL     1      -3.952  -2.076  -0.735  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.964   3.599   0.394  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.274   4.459   1.621  1.00  0.00           C  
HETATM   36  H   UNL     1      -0.361   0.690  -1.668  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.029  -0.326  -0.221  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.713   0.991   0.934  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.385   2.654  -0.778  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.702   1.337  -1.933  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.244   1.702   1.377  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.597   2.364   1.512  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.998   2.926   0.168  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.601   4.393  -0.759  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.015   2.805  -1.310  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.050  -4.001  -0.512  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.002  -2.958   2.401  1.00  0.00           H  
HETATM   48  H   UNL     1       3.801  -2.518   0.424  1.00  0.00           H  
HETATM   49  H   UNL     1       2.165  -2.524  -0.276  1.00  0.00           H  
HETATM   50  H   UNL     1       5.772  -2.027  -0.988  1.00  0.00           H  
HETATM   51  H   UNL     1       5.555  -1.476  -2.667  1.00  0.00           H  
HETATM   52  H   UNL     1       5.070  -0.424  -1.315  1.00  0.00           H  
HETATM   53  H   UNL     1       4.592   2.429   0.063  1.00  0.00           H  
HETATM   54  H   UNL     1       0.621   0.300   1.084  1.00  0.00           H  
HETATM   55  H   UNL     1       0.304  -1.017  -0.071  1.00  0.00           H  
HETATM   56  H   UNL     1       1.968  -0.047  -1.633  1.00  0.00           H  
HETATM   57  H   UNL     1       2.284   1.270  -0.478  1.00  0.00           H  
HETATM   58  H   UNL     1       6.420  -1.245   1.225  1.00  0.00           H  
HETATM   59  H   UNL     1       8.564  -0.482   0.287  1.00  0.00           H  
HETATM   60  H   UNL     1       9.782   1.273  -0.845  1.00  0.00           H  
HETATM   61  H   UNL     1       9.062   2.721  -1.301  1.00  0.00           H  
HETATM   62  H   UNL     1       6.732   3.204  -0.875  1.00  0.00           H  
HETATM   63  H   UNL     1       3.100  -1.514  -2.371  1.00  0.00           H  
HETATM   64  H   UNL     1       2.828  -3.969  -2.158  1.00  0.00           H  
HETATM   65  H   UNL     1       4.254  -3.567  -3.145  1.00  0.00           H  
HETATM   66  H   UNL     1       4.459  -4.089  -1.456  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.323  -0.786   1.291  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.678  -5.487   1.288  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.835  -5.075   2.436  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.380  -1.826  -1.616  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.201   4.090  -0.211  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.368   4.588   2.213  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.639   5.434   1.298  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.036   3.968   2.226  1.00  0.00           H  
CONECT    1    2   12   36                                            
CONECT    2    1    3   37   38                                       
CONECT    3    2   26   39   40                                       
CONECT    4   26   34   41   42                                       
CONECT    5   34   43   44   45                                       
CONECT    6   27   30   30   33                                       
CONECT    7   31   33   33   46                                       
CONECT    8   30   31   31   47                                       
CONECT    9   14   24   48   49                                       
CONECT   10   24   50   51   52                                       
CONECT   11   18   18   23   53                                       
CONECT   12    1   13   54   55                                       
CONECT   13   12   14   56   57                                       
CONECT   14    9   13   15                                            
CONECT   15   14   16   16   17                                       
CONECT   15   17   18                                                 
CONECT   16   15   15                                                 
CONECT   17   15   15                                                 
CONECT   18   11   11   15   19                                       
CONECT   19   18   20   20   58                                       
CONECT   20   19   19   21   59                                       
CONECT   21   20   22   23   23                                       
CONECT   22   21   60   61                                            
CONECT   23   11   21   21   62                                       
CONECT   24    9   10   25   63                                       
CONECT   25   24   64   65   66                                       
CONECT   26    3    4   27                                            
CONECT   27    6   26   28   28                                       
CONECT   27   29   29                                                 
CONECT   28   27   27                                                 
CONECT   29   27   27                                                 
CONECT   30    6    6    8   67                                       
CONECT   31    7    8    8   32                                       
CONECT   32   31   68   69                                            
CONECT   33    6    7    7   70                                       
CONECT   34    4    5   35   71                                       
CONECT   35   34   72   73   74                                       
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   22                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   25                                                      
CONECT   66   25                                                      
CONECT   67   30                                                      
CONECT   68   32                                                      
CONECT   69   32                                                      
CONECT   70   33                                                      
CONECT   71   34                                                      
CONECT   72   35                                                      
CONECT   73   35                                                      
CONECT   74   35                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
