COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.750   2.426  -0.078  1.00  0.00           C  
HETATM    2  C   UNL     1       5.846   3.025  -0.710  1.00  0.00           C  
HETATM    3  C   UNL     1       2.694   1.104  -0.806  1.00  0.00           C  
HETATM    4  C   UNL     1       3.976   1.862  -1.034  1.00  0.00           C  
HETATM    5  C   UNL     1       4.054   1.668  -3.534  1.00  0.00           C  
HETATM    6  C   UNL     1       6.965   3.765  -0.023  1.00  0.00           C  
HETATM    7  N   UNL     1       3.537   3.749   2.008  1.00  0.00           N  
HETATM    8  C   UNL     1       1.966  -1.218  -0.390  1.00  0.00           C  
HETATM    9  O   UNL     1       3.597   1.284   1.898  1.00  0.00           O  
HETATM   10  C   UNL     1      -0.303  -1.594  -0.144  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.862   0.311  -0.301  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.529   1.288   0.022  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.069   1.036  -0.061  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.282   1.096   1.087  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.925   0.861   1.004  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.345   0.567  -0.217  1.00  0.00           C  
HETATM   17  N   UNL     1       5.731   2.831  -1.998  1.00  0.00           N  
HETATM   18  O   UNL     1       5.695   2.585   2.292  1.00  0.00           O  
HETATM   19  C   UNL     1      -8.307   1.225  -1.131  1.00  0.00           C  
HETATM   20  C   UNL     1      -9.669   1.457  -1.037  1.00  0.00           C  
HETATM   21  C   UNL     1     -10.207   1.744   0.209  1.00  0.00           C  
HETATM   22  C   UNL     1      -9.375   1.790   1.313  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.480   0.733  -1.288  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.121   0.506  -1.360  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.034  -2.962   0.040  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.034  -5.107   0.364  1.00  0.00           C  
HETATM   27  C   UNL     1       2.430  -5.643   0.239  1.00  0.00           C  
HETATM   28  C   UNL     1       2.498  -6.330   1.605  1.00  0.00           C  
HETATM   29  C   UNL     1       2.292  -6.702  -0.857  1.00  0.00           C  
HETATM   30  C   UNL     1       1.302  -3.391  -0.007  1.00  0.00           C  
HETATM   31  N   UNL     1       2.262  -2.497  -0.222  1.00  0.00           N  
HETATM   32  N   UNL     1       4.558   2.099  -2.228  1.00  0.00           N  
HETATM   33  N   UNL     1       2.994  -0.318  -0.617  1.00  0.00           N  
HETATM   34  N   UNL     1       0.717  -0.770  -0.353  1.00  0.00           N  
HETATM   35  N   UNL     1      -1.601  -1.117  -0.108  1.00  0.00           N  
HETATM   36  N   UNL     1      -8.082   1.566   1.195  1.00  0.00           N  
HETATM   37  N   UNL     1      -0.798  -4.058   0.269  1.00  0.00           N  
HETATM   38  N   UNL     1       1.272  -4.747   0.200  1.00  0.00           N  
HETATM   39  S   UNL     1       4.437   2.404   1.656  1.00  0.00           S  
HETATM   40  H   UNL     1       2.196   1.491   0.083  1.00  0.00           H  
HETATM   41  H   UNL     1       2.041   1.225  -1.671  1.00  0.00           H  
HETATM   42  H   UNL     1       4.458   0.685  -3.774  1.00  0.00           H  
HETATM   43  H   UNL     1       2.965   1.616  -3.503  1.00  0.00           H  
HETATM   44  H   UNL     1       4.361   2.384  -4.297  1.00  0.00           H  
HETATM   45  H   UNL     1       7.763   3.066   0.227  1.00  0.00           H  
HETATM   46  H   UNL     1       7.352   4.536  -0.689  1.00  0.00           H  
HETATM   47  H   UNL     1       6.589   4.228   0.889  1.00  0.00           H  
HETATM   48  H   UNL     1       2.908   3.731   2.746  1.00  0.00           H  
HETATM   49  H   UNL     1       3.638   4.554   1.476  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.496   0.618  -1.281  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.350   0.882   0.473  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.734   1.327   2.041  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.314   0.908   1.894  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.855   0.999  -2.086  1.00  0.00           H  
HETATM   55  H   UNL     1     -10.298   1.415  -1.914  1.00  0.00           H  
HETATM   56  H   UNL     1     -11.266   1.930   0.316  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.791   2.013   2.284  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.085   0.685  -2.181  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.663   0.276  -2.311  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.381  -6.113   0.545  1.00  0.00           H  
HETATM   61  H   UNL     1       3.341  -5.068   0.076  1.00  0.00           H  
HETATM   62  H   UNL     1       3.360  -6.997   1.633  1.00  0.00           H  
HETATM   63  H   UNL     1       2.596  -5.576   2.386  1.00  0.00           H  
HETATM   64  H   UNL     1       1.587  -6.905   1.768  1.00  0.00           H  
HETATM   65  H   UNL     1       2.244  -6.213  -1.830  1.00  0.00           H  
HETATM   66  H   UNL     1       3.154  -7.369  -0.828  1.00  0.00           H  
HETATM   67  H   UNL     1       1.381  -7.277  -0.694  1.00  0.00           H  
HETATM   68  H   UNL     1       3.912  -0.628  -0.651  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.338  -1.729   0.045  1.00  0.00           H  
CONECT    1    2    4    4   39                                       
CONECT    2   17   17    6    1                                       
CONECT    3    4   33   40   41                                       
CONECT    4   32    1    1    3                                       
CONECT    5   32   42   43   44                                       
CONECT    6    2   45   46   47                                       
CONECT    7   39   48   49                                            
CONECT    8   33   31   31   34                                       
CONECT    9   39   39                                                 
CONECT   10   34   34   25   35                                       
CONECT   11   35   16   50   51                                       
CONECT   12   13   19   19   36                                       
CONECT   13   23   23   14   12                                       
CONECT   14   15   15   13   52                                       
CONECT   15   16   14   14   53                                       
CONECT   16   11   24   24   15                                       
CONECT   17   32    2    2                                            
CONECT   18   39   39                                                 
CONECT   19   12   12   20   54                                       
CONECT   20   19   21   21   55                                       
CONECT   21   20   20   22   56                                       
CONECT   22   36   36   21   57                                       
CONECT   23   24   13   13   58                                       
CONECT   24   16   16   23   59                                       
CONECT   25   30   30   10   37                                       
CONECT   26   38   37   37   60                                       
CONECT   27   28   38   29   61                                       
CONECT   28   27   62   63   64                                       
CONECT   29   27   65   66   67                                       
CONECT   30   31   38   25   25                                       
CONECT   31    8    8   30                                            
CONECT   32   17    5    4                                            
CONECT   33    3    8   68                                            
CONECT   34    8   10   10                                            
CONECT   35   11   10   69                                            
CONECT   36   12   22   22                                            
CONECT   37   25   26   26                                            
CONECT   38   30   27   26                                            
CONECT   39    7    1   18   18                                       
CONECT   39    9    9                                                 
CONECT   40    3                                                      
CONECT   41    3                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    7                                                      
CONECT   50   11                                                      
CONECT   51   11                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   26                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
CONECT   63   28                                                      
CONECT   64   28                                                      
CONECT   65   29                                                      
CONECT   66   29                                                      
CONECT   67   29                                                      
CONECT   68   33                                                      
CONECT   69   35                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
