COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.267  -4.388  -1.313  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.560   3.224   1.344  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.599   2.586   2.526  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.344   2.142   3.758  1.00  0.00           C  
HETATM    5  C   UNL     1       6.082  -0.279   1.413  1.00  0.00           C  
HETATM    6  C   UNL     1       4.983  -1.345   1.361  1.00  0.00           C  
HETATM    7  C   UNL     1       4.647  -1.645  -0.103  1.00  0.00           C  
HETATM    8  C   UNL     1       4.230  -0.347  -0.799  1.00  0.00           C  
HETATM    9  C   UNL     1       5.609   0.966   0.659  1.00  0.00           C  
HETATM   10  C   UNL     1       6.724   2.014   0.655  1.00  0.00           C  
HETATM   11  C   UNL     1       3.400  -3.397  -1.249  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.303   2.765   2.573  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.347   2.825   1.239  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.463   1.510   0.465  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.210   1.748  -0.821  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.632   1.501  -1.970  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.204   1.019  -2.007  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.394   1.698  -3.255  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.182  -0.510  -2.008  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.755  -0.992  -2.045  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.289  -1.735  -1.072  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.856  -2.201  -1.099  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.186  -2.124   0.075  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.857  -3.464  -0.234  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.754  -3.852   0.913  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.601  -5.013   1.500  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.528  -5.960   1.028  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.497  -5.402   2.647  1.00  0.00           C  
HETATM   29  N   UNL     1       3.546  -2.609  -0.165  1.00  0.00           N  
HETATM   30  O   UNL     1       5.284   0.612  -0.687  1.00  0.00           O  
HETATM   31  O   UNL     1       6.244   3.218   0.054  1.00  0.00           O  
HETATM   32  O   UNL     1       6.353   0.061   2.774  1.00  0.00           O  
HETATM   33  O   UNL     1       5.443  -2.537   2.001  1.00  0.00           O  
HETATM   34  O   UNL     1       4.180  -3.307  -2.174  1.00  0.00           O  
HETATM   35  O   UNL     1       3.050   0.168  -0.179  1.00  0.00           O  
HETATM   36  O   UNL     1       2.604   2.194  -1.618  1.00  0.00           O  
HETATM   37  O   UNL     1       1.255   0.116  -2.100  1.00  0.00           O  
HETATM   38  O   UNL     1       0.828   1.554   0.059  1.00  0.00           O  
HETATM   39  O   UNL     1      -1.040   2.563  -1.306  1.00  0.00           O  
HETATM   40  O   UNL     1       0.337   4.137   0.107  1.00  0.00           O  
HETATM   41  O   UNL     1      -1.365   2.454   1.195  1.00  0.00           O  
HETATM   42  P   UNL     1       1.949   1.033  -0.974  1.00  0.00           P  
HETATM   43  P   UNL     1      -0.326   2.675  -0.015  1.00  0.00           P  
HETATM   44  H   UNL     1       1.395  -3.916  -1.765  1.00  0.00           H  
HETATM   45  H   UNL     1       2.568  -5.246  -1.915  1.00  0.00           H  
HETATM   46  H   UNL     1       2.019  -4.721  -0.306  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.192   3.088   0.466  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.303   4.278   1.447  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.378   1.053   3.789  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.832   2.515   4.646  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.359   2.537   3.731  1.00  0.00           H  
HETATM   52  H   UNL     1       6.988  -0.666   0.947  1.00  0.00           H  
HETATM   53  H   UNL     1       4.093  -0.978   1.871  1.00  0.00           H  
HETATM   54  H   UNL     1       5.523  -2.061  -0.600  1.00  0.00           H  
HETATM   55  H   UNL     1       4.031  -0.546  -1.852  1.00  0.00           H  
HETATM   56  H   UNL     1       4.727   1.376   1.151  1.00  0.00           H  
HETATM   57  H   UNL     1       7.034   2.218   1.680  1.00  0.00           H  
HETATM   58  H   UNL     1       7.575   1.638   0.086  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.765   2.584   3.492  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.344   3.204   1.463  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.466   1.130   0.242  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.223   2.123  -0.796  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.719   1.391  -2.909  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.673   1.390  -1.130  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.250   2.719  -3.610  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.027   0.998  -4.006  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.455   1.520  -3.080  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.668  -0.882  -1.106  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.713  -0.881  -2.885  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.116  -0.725  -2.874  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.226  -1.467  -0.596  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.776  -3.160  -0.587  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.530  -2.312  -2.133  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.593  -2.216   0.985  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.950  -1.359   0.215  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.450  -3.372  -1.144  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.093  -4.229  -0.373  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.523  -3.174   1.251  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.587  -5.720   1.523  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.814  -6.984   1.270  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.406  -5.863  -0.051  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.205  -4.597   2.844  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.042  -6.310   2.391  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.893  -5.579   3.537  1.00  0.00           H  
HETATM   85  H   UNL     1       2.922  -2.681   0.574  1.00  0.00           H  
HETATM   86  H   UNL     1       6.900   3.928   0.018  1.00  0.00           H  
HETATM   87  H   UNL     1       7.040   0.733   2.883  1.00  0.00           H  
HETATM   88  H   UNL     1       5.680  -2.418   2.931  1.00  0.00           H  
HETATM   89  H   UNL     1       0.805  -0.665  -1.749  1.00  0.00           H  
HETATM   90  H   UNL     1       0.823   4.281   0.931  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.807   3.555   0.635  1.00  0.00           H  
HETATM   92  H   UNL     1      -6.003   0.780   1.069  1.00  0.00           H  
CONECT    1   11   44   45   46                                       
CONECT    2   41   12   47   48                                       
CONECT    3   12   12   13    4                                       
CONECT    4    3   49   50   51                                       
CONECT    5   32    6    9   52                                       
CONECT    6   33    5    7   53                                       
CONECT    7    6   29    8   54                                       
CONECT    8    7   30   35   55                                       
CONECT    9   10    5   30   56                                       
CONECT   10   31    9   57   58                                       
CONECT   11   34   34    1   29                                       
CONECT   12    2    3    3   59                                       
CONECT   13    3   14   60   91                                       
CONECT   14   15   13   61   92                                       
CONECT   15   16   16   14   62                                       
CONECT   16   18   15   15   17                                       
CONECT   17   16   19   63   64                                       
CONECT   18   16   65   66   67                                       
CONECT   19   17   20   68   69                                       
CONECT   20   19   21   21   70                                       
CONECT   21   20   20   22   23                                       
CONECT   22   21   71   72   73                                       
CONECT   23   21   24   74   75                                       
CONECT   24   23   25   76   77                                       
CONECT   25   26   26   24   78                                       
CONECT   26   28   25   25   27                                       
CONECT   27   26   79   80   81                                       
CONECT   28   26   82   83   84                                       
CONECT   29   11    7   85                                            
CONECT   30    9    8                                                 
CONECT   31   10   86                                                 
CONECT   32    5   87                                                 
CONECT   33    6   88                                                 
CONECT   34   11   11                                                 
CONECT   35    8   42                                                 
CONECT   36   42   42                                                 
CONECT   37   42   89                                                 
CONECT   38   42   43                                                 
CONECT   39   43   43                                                 
CONECT   40   43   90                                                 
CONECT   41   43    2                                                 
CONECT   42   35   38   36   36                                       
CONECT   42   37                                                      
CONECT   43   39   39   40   38                                       
CONECT   43   41                                                      
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    2                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    4                                                      
CONECT   52    5                                                      
CONECT   53    6                                                      
CONECT   54    7                                                      
CONECT   55    8                                                      
CONECT   56    9                                                      
CONECT   57   10                                                      
CONECT   58   10                                                      
CONECT   59   12                                                      
CONECT   60   13                                                      
CONECT   61   14                                                      
CONECT   62   15                                                      
CONECT   63   17                                                      
CONECT   64   17                                                      
CONECT   65   18                                                      
CONECT   66   18                                                      
CONECT   67   18                                                      
CONECT   68   19                                                      
CONECT   69   19                                                      
CONECT   70   20                                                      
CONECT   71   22                                                      
CONECT   72   22                                                      
CONECT   73   22                                                      
CONECT   74   23                                                      
CONECT   75   23                                                      
CONECT   76   24                                                      
CONECT   77   24                                                      
CONECT   78   25                                                      
CONECT   79   27                                                      
CONECT   80   27                                                      
CONECT   81   27                                                      
CONECT   82   28                                                      
CONECT   83   28                                                      
CONECT   84   28                                                      
CONECT   85   29                                                      
CONECT   86   31                                                      
CONECT   87   32                                                      
CONECT   88   33                                                      
CONECT   89   37                                                      
CONECT   90   40                                                      
CONECT   91   13                                                      
CONECT   92   14                                                      
MASTER        0    0    0    0    0    0    0    0   92    0   92    0
END
