COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       7.773  -0.853  -2.948  1.00  0.00           N  
HETATM    2  O   UNL     1       6.202   1.627   2.464  1.00  0.00           O  
HETATM    3  C   UNL     1      11.568   4.932  -1.530  1.00  0.00           C  
HETATM    4  C   UNL     1       3.334  -2.073   1.680  1.00  0.00           C  
HETATM    5  C   UNL     1       6.162  -2.685  -2.734  1.00  0.00           C  
HETATM    6  C   UNL     1       6.789  -1.660  -3.682  1.00  0.00           C  
HETATM    7  C   UNL     1       0.601  -0.451   1.824  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.487   0.230   1.033  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.848  -0.330   1.451  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.952   0.361   0.648  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.313  -0.200   1.066  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.417   0.492   0.263  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.778  -0.069   0.680  1.00  0.00           C  
HETATM   14  C   UNL     1      10.383   4.015  -1.840  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.882   0.623  -0.122  1.00  0.00           C  
HETATM   16  C   UNL     1      -9.243   0.062   0.295  1.00  0.00           C  
HETATM   17  C   UNL     1     -10.347   0.754  -0.507  1.00  0.00           C  
HETATM   18  C   UNL     1     -11.708   0.193  -0.090  1.00  0.00           C  
HETATM   19  C   UNL     1     -12.812   0.885  -0.892  1.00  0.00           C  
HETATM   20  C   UNL     1     -14.174   0.324  -0.475  1.00  0.00           C  
HETATM   21  C   UNL     1     -15.278   1.015  -1.277  1.00  0.00           C  
HETATM   22  C   UNL     1     -16.639   0.454  -0.860  1.00  0.00           C  
HETATM   23  C   UNL     1     -17.743   1.146  -1.662  1.00  0.00           C  
HETATM   24  C   UNL     1       9.646   3.678  -0.543  1.00  0.00           C  
HETATM   25  C   UNL     1       8.461   2.762  -0.853  1.00  0.00           C  
HETATM   26  C   UNL     1       7.723   2.425   0.445  1.00  0.00           C  
HETATM   27  C   UNL     1       6.538   1.508   0.135  1.00  0.00           C  
HETATM   28  C   UNL     1       5.812   1.176   1.413  1.00  0.00           C  
HETATM   29  C   UNL     1       4.082   0.104   2.652  1.00  0.00           C  
HETATM   30  C   UNL     1       2.879  -0.814   2.420  1.00  0.00           C  
HETATM   31  O   UNL     1       4.731   0.380   1.383  1.00  0.00           O  
HETATM   32  O   UNL     1       4.008  -1.701   0.476  1.00  0.00           O  
HETATM   33  O   UNL     1       5.552  -3.674   0.167  1.00  0.00           O  
HETATM   34  O   UNL     1       3.428  -3.644  -1.197  1.00  0.00           O  
HETATM   35  O   UNL     1       5.416  -2.006  -1.723  1.00  0.00           O  
HETATM   36  O   UNL     1       1.885  -0.116   1.624  1.00  0.00           O  
HETATM   37  O   UNL     1       0.317  -1.298   2.637  1.00  0.00           O  
HETATM   38  P   UNL     1       4.621  -2.776  -0.553  1.00  0.00           P  
HETATM   39  H   UNL     1       8.202  -0.168  -3.552  1.00  0.00           H  
HETATM   40  H   UNL     1       7.353  -0.414  -2.143  1.00  0.00           H  
HETATM   41  H   UNL     1      12.249   4.426  -0.846  1.00  0.00           H  
HETATM   42  H   UNL     1      12.094   5.172  -2.454  1.00  0.00           H  
HETATM   43  H   UNL     1      11.206   5.851  -1.069  1.00  0.00           H  
HETATM   44  H   UNL     1       4.013  -2.642   2.315  1.00  0.00           H  
HETATM   45  H   UNL     1       2.465  -2.685   1.436  1.00  0.00           H  
HETATM   46  H   UNL     1       5.498  -3.341  -3.297  1.00  0.00           H  
HETATM   47  H   UNL     1       6.950  -3.278  -2.269  1.00  0.00           H  
HETATM   48  H   UNL     1       6.010  -1.009  -4.079  1.00  0.00           H  
HETATM   49  H   UNL     1       7.284  -2.178  -4.503  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.460   1.303   1.228  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.330   0.050  -0.030  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.874  -1.403   1.256  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.004  -0.150   2.514  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.925   1.433   0.843  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.795   0.181  -0.415  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.339  -1.272   0.871  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.470  -0.020   2.129  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.391   1.564   0.458  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.260   0.312  -0.800  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.805  -1.141   0.486  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.935   0.111   1.744  1.00  0.00           H  
HETATM   62  H   UNL     1       9.702   4.521  -2.525  1.00  0.00           H  
HETATM   63  H   UNL     1      10.745   3.096  -2.301  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.856   1.695   0.073  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.726   0.443  -1.185  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.270  -1.010   0.101  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.400   0.242   1.359  1.00  0.00           H  
HETATM   68  H   UNL     1     -10.321   1.826  -0.312  1.00  0.00           H  
HETATM   69  H   UNL     1     -10.191   0.574  -1.571  1.00  0.00           H  
HETATM   70  H   UNL     1     -11.735  -0.879  -0.285  1.00  0.00           H  
HETATM   71  H   UNL     1     -11.865   0.373   0.974  1.00  0.00           H  
HETATM   72  H   UNL     1     -12.786   1.957  -0.697  1.00  0.00           H  
HETATM   73  H   UNL     1     -12.656   0.705  -1.956  1.00  0.00           H  
HETATM   74  H   UNL     1     -14.200  -0.748  -0.670  1.00  0.00           H  
HETATM   75  H   UNL     1     -14.330   0.504   0.589  1.00  0.00           H  
HETATM   76  H   UNL     1     -15.251   2.087  -1.082  1.00  0.00           H  
HETATM   77  H   UNL     1     -15.121   0.835  -2.341  1.00  0.00           H  
HETATM   78  H   UNL     1     -16.665  -0.618  -1.055  1.00  0.00           H  
HETATM   79  H   UNL     1     -16.795   0.634   0.204  1.00  0.00           H  
HETATM   80  H   UNL     1     -18.712   0.747  -1.365  1.00  0.00           H  
HETATM   81  H   UNL     1     -17.716   2.218  -1.467  1.00  0.00           H  
HETATM   82  H   UNL     1     -17.586   0.966  -2.726  1.00  0.00           H  
HETATM   83  H   UNL     1      10.327   3.173   0.142  1.00  0.00           H  
HETATM   84  H   UNL     1       9.283   4.597  -0.082  1.00  0.00           H  
HETATM   85  H   UNL     1       7.779   3.267  -1.537  1.00  0.00           H  
HETATM   86  H   UNL     1       8.823   1.843  -1.314  1.00  0.00           H  
HETATM   87  H   UNL     1       8.404   1.919   1.129  1.00  0.00           H  
HETATM   88  H   UNL     1       7.361   3.344   0.906  1.00  0.00           H  
HETATM   89  H   UNL     1       5.857   2.014  -0.550  1.00  0.00           H  
HETATM   90  H   UNL     1       6.900   0.589  -0.326  1.00  0.00           H  
HETATM   91  H   UNL     1       3.745   1.039   3.099  1.00  0.00           H  
HETATM   92  H   UNL     1       4.788  -0.386   3.323  1.00  0.00           H  
HETATM   93  H   UNL     1       2.445  -1.093   3.380  1.00  0.00           H  
HETATM   94  H   UNL     1       2.779  -3.120  -1.686  1.00  0.00           H  
CONECT    1    6   39   40                                            
CONECT    2   28   28                                                 
CONECT    3   14   41   42   43                                       
CONECT    4   32   30   44   45                                       
CONECT    5    6   35   46   47                                       
CONECT    6    1    5   48   49                                       
CONECT    7   36   37   37    8                                       
CONECT    8    7    9   50   51                                       
CONECT    9    8   10   52   53                                       
CONECT   10    9   11   54   55                                       
CONECT   11   10   12   56   57                                       
CONECT   12   11   13   58   59                                       
CONECT   13   12   15   60   61                                       
CONECT   14   24    3   62   63                                       
CONECT   15   13   16   64   65                                       
CONECT   16   15   17   66   67                                       
CONECT   17   18   16   68   69                                       
CONECT   18   17   19   70   71                                       
CONECT   19   18   20   72   73                                       
CONECT   20   19   21   74   75                                       
CONECT   21   20   22   76   77                                       
CONECT   22   21   23   78   79                                       
CONECT   23   22   80   81   82                                       
CONECT   24   25   14   83   84                                       
CONECT   25   26   24   85   86                                       
CONECT   26   27   25   87   88                                       
CONECT   27   28   26   89   90                                       
CONECT   28   31    2    2   27                                       
CONECT   29   30   31   91   92                                       
CONECT   30    4   29   36   93                                       
CONECT   31   29   28                                                 
CONECT   32   38    4                                                 
CONECT   33   38   38                                                 
CONECT   34   38   94                                                 
CONECT   35    5   38                                                 
CONECT   36   30    7                                                 
CONECT   37    7    7                                                 
CONECT   38   35   33   33   32                                       
CONECT   38   34                                                      
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    3                                                      
CONECT   42    3                                                      
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    6                                                      
CONECT   50    8                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   11                                                      
CONECT   58   12                                                      
CONECT   59   12                                                      
CONECT   60   13                                                      
CONECT   61   13                                                      
CONECT   62   14                                                      
CONECT   63   14                                                      
CONECT   64   15                                                      
CONECT   65   15                                                      
CONECT   66   16                                                      
CONECT   67   16                                                      
CONECT   68   17                                                      
CONECT   69   17                                                      
CONECT   70   18                                                      
CONECT   71   18                                                      
CONECT   72   19                                                      
CONECT   73   19                                                      
CONECT   74   20                                                      
CONECT   75   20                                                      
CONECT   76   21                                                      
CONECT   77   21                                                      
CONECT   78   22                                                      
CONECT   79   22                                                      
CONECT   80   23                                                      
CONECT   81   23                                                      
CONECT   82   23                                                      
CONECT   83   24                                                      
CONECT   84   24                                                      
CONECT   85   25                                                      
CONECT   86   25                                                      
CONECT   87   26                                                      
CONECT   88   26                                                      
CONECT   89   27                                                      
CONECT   90   27                                                      
CONECT   91   29                                                      
CONECT   92   29                                                      
CONECT   93   30                                                      
CONECT   94   34                                                      
MASTER        0    0    0    0    0    0    0    0   94    0   94    0
END
