COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.390   3.845   0.174  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.881   0.254  -0.704  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.153  -1.640   0.266  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.621  -3.386   0.959  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.690  -4.506   1.998  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.910   5.443  -1.441  1.00  0.00           C  
HETATM    7  C   UNL     1       1.655  -4.630  -1.127  1.00  0.00           C  
HETATM    8  C   UNL     1       0.715  -3.035   0.391  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.417  -3.554  -1.654  1.00  0.00           C  
HETATM   10  C   UNL     1       1.334  -0.338  -0.437  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.088  -0.486  -0.660  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.443  -1.870  -0.112  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.586   1.063  -0.607  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.642   2.236  -1.588  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.739   3.211  -1.154  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.878  -0.843   0.362  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.233   0.461  -0.411  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.820   4.405  -2.134  1.00  0.00           C  
HETATM   19  C   UNL     1       1.718  -3.927   0.062  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.352  -2.847  -0.468  1.00  0.00           C  
HETATM   21  C   UNL     1       0.589  -4.442  -1.986  1.00  0.00           C  
HETATM   22  C   UNL     1       2.570   0.175   0.257  1.00  0.00           C  
HETATM   23  C   UNL     1       2.567  -0.292   1.714  1.00  0.00           C  
HETATM   24  C   UNL     1       5.884   1.445   3.771  1.00  0.00           C  
HETATM   25  C   UNL     1       6.025   0.225   3.138  1.00  0.00           C  
HETATM   26  C   UNL     1       4.952  -0.337   2.472  1.00  0.00           C  
HETATM   27  C   UNL     1       3.737   0.321   2.439  1.00  0.00           C  
HETATM   28  C   UNL     1       3.596   1.542   3.072  1.00  0.00           C  
HETATM   29  C   UNL     1       4.667   2.101   3.743  1.00  0.00           C  
HETATM   30  C   UNL     1       4.927   0.326  -0.339  1.00  0.00           C  
HETATM   31  C   UNL     1       6.153  -0.208  -1.036  1.00  0.00           C  
HETATM   32  C   UNL     1       7.332   0.734  -0.786  1.00  0.00           C  
HETATM   33  C   UNL     1       9.659   1.037  -1.276  1.00  0.00           C  
HETATM   34  C   UNL     1      10.790   0.427  -1.993  1.00  0.00           C  
HETATM   35  C   UNL     1      11.692  -0.060  -2.565  1.00  0.00           C  
HETATM   36  N   UNL     1       0.113   0.012   0.015  1.00  0.00           N  
HETATM   37  N   UNL     1      -3.447   0.204  -0.938  1.00  0.00           N  
HETATM   38  N   UNL     1      -4.934   5.095  -0.015  1.00  0.00           N  
HETATM   39  N   UNL     1       3.761  -0.344  -0.420  1.00  0.00           N  
HETATM   40  O   UNL     1       1.438  -1.065  -1.402  1.00  0.00           O  
HETATM   41  O   UNL     1      -5.509   3.305   1.254  1.00  0.00           O  
HETATM   42  O   UNL     1      -7.371  -2.662   1.109  1.00  0.00           O  
HETATM   43  O   UNL     1      -7.979  -1.360  -0.569  1.00  0.00           O  
HETATM   44  O   UNL     1      -2.063   1.455   0.263  1.00  0.00           O  
HETATM   45  O   UNL     1       4.992   1.358   0.294  1.00  0.00           O  
HETATM   46  O   UNL     1       8.494   0.227  -1.447  1.00  0.00           O  
HETATM   47  H   UNL     1      -6.734   0.913  -0.545  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.952  -0.200  -1.692  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.674  -3.815  -0.042  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.457  -2.701   1.106  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.628  -5.049   1.885  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.854  -5.190   1.851  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.637  -4.077   2.999  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.894   5.374  -1.829  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.303   6.449  -1.591  1.00  0.00           H  
HETATM   56  H   UNL     1       2.442  -5.324  -1.386  1.00  0.00           H  
HETATM   57  H   UNL     1       0.766  -2.482   1.317  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.250  -3.407  -2.325  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.900  -0.557  -1.731  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.543  -1.817   0.972  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.385  -2.203  -0.548  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.471   1.444   0.408  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.681   2.750  -1.595  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.863   1.863  -2.588  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.700   2.700  -1.092  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.024  -1.502   0.203  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.807  -0.389   1.351  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.842   4.774  -2.215  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.426   4.133  -3.113  1.00  0.00           H  
HETATM   70  H   UNL     1       2.551  -4.075   0.733  1.00  0.00           H  
HETATM   71  H   UNL     1       0.543  -4.988  -2.916  1.00  0.00           H  
HETATM   72  H   UNL     1       2.579   1.264   0.224  1.00  0.00           H  
HETATM   73  H   UNL     1       1.639   0.019   2.193  1.00  0.00           H  
HETATM   74  H   UNL     1       2.648  -1.378   1.747  1.00  0.00           H  
HETATM   75  H   UNL     1       6.722   1.885   4.291  1.00  0.00           H  
HETATM   76  H   UNL     1       6.975  -0.290   3.164  1.00  0.00           H  
HETATM   77  H   UNL     1       5.063  -1.291   1.977  1.00  0.00           H  
HETATM   78  H   UNL     1       2.647   2.056   3.046  1.00  0.00           H  
HETATM   79  H   UNL     1       4.557   3.055   4.237  1.00  0.00           H  
HETATM   80  H   UNL     1       6.390  -1.198  -0.646  1.00  0.00           H  
HETATM   81  H   UNL     1       5.962  -0.275  -2.107  1.00  0.00           H  
HETATM   82  H   UNL     1       7.095   1.724  -1.176  1.00  0.00           H  
HETATM   83  H   UNL     1       7.523   0.801   0.285  1.00  0.00           H  
HETATM   84  H   UNL     1       9.898   1.111  -0.215  1.00  0.00           H  
HETATM   85  H   UNL     1       9.470   2.034  -1.676  1.00  0.00           H  
HETATM   86  H   UNL     1      12.499  -0.495  -3.077  1.00  0.00           H  
HETATM   87  H   UNL     1       0.030   0.594   0.787  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.566  -0.550  -1.536  1.00  0.00           H  
HETATM   89  H   UNL     1      -4.656   5.690   0.698  1.00  0.00           H  
HETATM   90  H   UNL     1       3.709  -1.170  -0.927  1.00  0.00           H  
CONECT    1   41   41   15   38                                       
CONECT    2   13   16   47   48                                       
CONECT    3   16   43   43   42                                       
CONECT    4   42    5   49   50                                       
CONECT    5    4   51   52   53                                       
CONECT    6   18   38   54   55                                       
CONECT    7   19   19   21   56                                       
CONECT    8   19   20   20   57                                       
CONECT    9   21   21   20   58                                       
CONECT   10   36   40   40   22                                       
CONECT   11   12   36   17   59                                       
CONECT   12   20   11   60   61                                       
CONECT   13   37    2   14   62                                       
CONECT   14   13   15   63   64                                       
CONECT   15   14    1   18   65                                       
CONECT   16    2    3   66   67                                       
CONECT   17   11   37   44   44                                       
CONECT   18   15    6   68   69                                       
CONECT   19    7    7    8   70                                       
CONECT   20    8    8    9   12                                       
CONECT   21    7    9    9   71                                       
CONECT   22   23   10   39   72                                       
CONECT   23   27   22   73   74                                       
CONECT   24   29   29   25   75                                       
CONECT   25   26   26   24   76                                       
CONECT   26   27   25   25   77                                       
CONECT   27   23   28   28   26                                       
CONECT   28   27   27   29   78                                       
CONECT   29   28   24   24   79                                       
CONECT   30   39   31   45   45                                       
CONECT   31   30   32   80   81                                       
CONECT   32   31   46   82   83                                       
CONECT   33   34   46   84   85                                       
CONECT   34   33   35   35   35                                       
CONECT   35   34   34   34   86                                       
CONECT   36   11   10   87                                            
CONECT   37   17   13   88                                            
CONECT   38    1    6   89                                            
CONECT   39   22   30   90                                            
CONECT   40   10   10                                                 
CONECT   41    1    1                                                 
CONECT   42    3    4                                                 
CONECT   43    3    3                                                 
CONECT   44   17   17                                                 
CONECT   45   30   30                                                 
CONECT   46   33   32                                                 
CONECT   47    2                                                      
CONECT   48    2                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    5                                                      
CONECT   52    5                                                      
CONECT   53    5                                                      
CONECT   54    6                                                      
CONECT   55    6                                                      
CONECT   56    7                                                      
CONECT   57    8                                                      
CONECT   58    9                                                      
CONECT   59   11                                                      
CONECT   60   12                                                      
CONECT   61   12                                                      
CONECT   62   13                                                      
CONECT   63   14                                                      
CONECT   64   14                                                      
CONECT   65   15                                                      
CONECT   66   16                                                      
CONECT   67   16                                                      
CONECT   68   18                                                      
CONECT   69   18                                                      
CONECT   70   19                                                      
CONECT   71   21                                                      
CONECT   72   22                                                      
CONECT   73   23                                                      
CONECT   74   23                                                      
CONECT   75   24                                                      
CONECT   76   25                                                      
CONECT   77   26                                                      
CONECT   78   28                                                      
CONECT   79   29                                                      
CONECT   80   31                                                      
CONECT   81   31                                                      
CONECT   82   32                                                      
CONECT   83   32                                                      
CONECT   84   33                                                      
CONECT   85   33                                                      
CONECT   86   35                                                      
CONECT   87   36                                                      
CONECT   88   37                                                      
CONECT   89   38                                                      
CONECT   90   39                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
