COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.087  -1.164  -2.098  1.00  0.00           C  
HETATM    2  C   UNL     1       7.200   0.036  -1.759  1.00  0.00           C  
HETATM    3  C   UNL     1       6.442  -1.020   0.284  1.00  0.00           C  
HETATM    4  C   UNL     1       4.989  -1.095  -0.188  1.00  0.00           C  
HETATM    5  C   UNL     1       4.318  -2.328   0.420  1.00  0.00           C  
HETATM    6  C   UNL     1       2.865  -2.402  -0.053  1.00  0.00           C  
HETATM    7  C   UNL     1       2.193  -3.635   0.555  1.00  0.00           C  
HETATM    8  C   UNL     1       0.496  -4.387  -1.045  1.00  0.00           C  
HETATM    9  C   UNL     1       1.586  -5.059  -1.839  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.787  -4.457  -1.459  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.794  -3.823  -0.693  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.436  -2.534   1.195  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.672  -2.458   0.743  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.777  -1.979   1.648  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.501  -0.802   0.991  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.623  -0.315   1.910  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.036   1.606   2.331  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.086   2.321   3.293  1.00  0.00           C  
HETATM   19  C   UNL     1      -8.089   0.514   0.170  1.00  0.00           C  
HETATM   20  C   UNL     1      -8.520   1.765  -0.550  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.650   2.396  -1.420  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.045   3.544  -2.080  1.00  0.00           C  
HETATM   23  C   UNL     1      -9.309   4.062  -1.871  1.00  0.00           C  
HETATM   24  C   UNL     1     -10.179   3.431  -1.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -9.786   2.280  -0.344  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.164  -3.104   0.819  1.00  0.00           C  
HETATM   27  C   UNL     1       8.401   0.403   0.312  1.00  0.00           C  
HETATM   28  C   UNL     1       8.872   1.792  -0.036  1.00  0.00           C  
HETATM   29  C   UNL     1       8.314   2.888   0.594  1.00  0.00           C  
HETATM   30  C   UNL     1       8.745   4.162   0.276  1.00  0.00           C  
HETATM   31  C   UNL     1       9.735   4.340  -0.673  1.00  0.00           C  
HETATM   32  C   UNL     1      10.294   3.243  -1.302  1.00  0.00           C  
HETATM   33  C   UNL     1       9.865   1.969  -0.980  1.00  0.00           C  
HETATM   34  N   UNL     1       7.087   0.164  -0.300  1.00  0.00           N  
HETATM   35  N   UNL     1       0.802  -3.707   0.103  1.00  0.00           N  
HETATM   36  N   UNL     1      -1.452  -3.162   0.432  1.00  0.00           N  
HETATM   37  N   UNL     1      -7.255   0.875   1.324  1.00  0.00           N  
HETATM   38  N   UNL     1      -6.296   1.842  -1.644  1.00  0.00           N1+
HETATM   39  N   UNL     1       7.253   2.698   1.610  1.00  0.00           N1+
HETATM   40  O   UNL     1      -2.958  -3.872  -1.046  1.00  0.00           O  
HETATM   41  O   UNL     1      -5.530   2.397  -2.411  1.00  0.00           O1-
HETATM   42  O   UNL     1      -5.948   0.830  -1.062  1.00  0.00           O  
HETATM   43  O   UNL     1       0.129  -2.505   1.836  1.00  0.00           O  
HETATM   44  O   UNL     1       6.761   3.664   2.165  1.00  0.00           O  
HETATM   45  O   UNL     1       6.873   1.576   1.890  1.00  0.00           O1-
HETATM   46  H   UNL     1       9.064  -1.038  -1.631  1.00  0.00           H  
HETATM   47  H   UNL     1       7.622  -2.077  -1.726  1.00  0.00           H  
HETATM   48  H   UNL     1       8.208  -1.232  -3.179  1.00  0.00           H  
HETATM   49  H   UNL     1       7.643   0.943  -2.170  1.00  0.00           H  
HETATM   50  H   UNL     1       6.209  -0.112  -2.188  1.00  0.00           H  
HETATM   51  H   UNL     1       6.468  -0.948   1.372  1.00  0.00           H  
HETATM   52  H   UNL     1       6.974  -1.917  -0.033  1.00  0.00           H  
HETATM   53  H   UNL     1       4.457  -0.198   0.129  1.00  0.00           H  
HETATM   54  H   UNL     1       4.964  -1.166  -1.276  1.00  0.00           H  
HETATM   55  H   UNL     1       4.850  -3.225   0.102  1.00  0.00           H  
HETATM   56  H   UNL     1       4.343  -2.256   1.507  1.00  0.00           H  
HETATM   57  H   UNL     1       2.333  -1.505   0.264  1.00  0.00           H  
HETATM   58  H   UNL     1       2.839  -2.474  -1.140  1.00  0.00           H  
HETATM   59  H   UNL     1       2.725  -4.532   0.238  1.00  0.00           H  
HETATM   60  H   UNL     1       2.218  -3.564   1.643  1.00  0.00           H  
HETATM   61  H   UNL     1       1.715  -6.082  -1.485  1.00  0.00           H  
HETATM   62  H   UNL     1       1.311  -5.072  -2.894  1.00  0.00           H  
HETATM   63  H   UNL     1       2.519  -4.510  -1.713  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.042  -4.990  -2.363  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.185  -2.110   2.156  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.893  -2.740  -0.276  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.485  -2.790   1.820  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.354  -1.659   2.601  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.794   0.010   0.820  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.924  -1.122   0.039  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.368  -1.103   2.023  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.209  -0.063   2.886  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.658   0.905   2.888  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.671   2.340   1.835  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.411   1.593   3.745  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.505   3.064   2.746  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.663   2.815   4.075  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.970  -0.029   0.515  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.516  -0.118  -0.509  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.366   4.037  -2.760  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.618   4.959  -2.386  1.00  0.00           H  
HETATM   82  H   UNL     1     -11.167   3.836  -0.836  1.00  0.00           H  
HETATM   83  H   UNL     1     -10.466   1.787   0.336  1.00  0.00           H  
HETATM   84  H   UNL     1       9.116  -0.328  -0.067  1.00  0.00           H  
HETATM   85  H   UNL     1       8.322   0.306   1.394  1.00  0.00           H  
HETATM   86  H   UNL     1       8.308   5.019   0.768  1.00  0.00           H  
HETATM   87  H   UNL     1      10.072   5.335  -0.922  1.00  0.00           H  
HETATM   88  H   UNL     1      11.067   3.382  -2.043  1.00  0.00           H  
HETATM   89  H   UNL     1      10.305   1.112  -1.469  1.00  0.00           H  
CONECT    1    2   46   47   48                                       
CONECT    2   34    1   49   50                                       
CONECT    3    4   34   51   52                                       
CONECT    4    5    3   53   54                                       
CONECT    5    6    4   55   56                                       
CONECT    6    7    5   57   58                                       
CONECT    7   35    6   59   60                                       
CONECT    8   10   10    9   35                                       
CONECT    9    8   61   62   63                                       
CONECT   10   11    8    8   64                                       
CONECT   11   40   40   10   36                                       
CONECT   12   36   13   13   65                                       
CONECT   13   12   12   14   66                                       
CONECT   14   15   13   67   68                                       
CONECT   15   16   14   69   70                                       
CONECT   16   37   15   71   72                                       
CONECT   17   37   18   73   74                                       
CONECT   18   17   75   76   77                                       
CONECT   19   20   37   78   79                                       
CONECT   20   25   19   21   21                                       
CONECT   21   20   20   22   38                                       
CONECT   22   23   23   21   80                                       
CONECT   23   24   22   22   81                                       
CONECT   24   25   25   23   82                                       
CONECT   25   24   24   20   83                                       
CONECT   26   36   35   43   43                                       
CONECT   27   28   34   84   85                                       
CONECT   28   29   27   33   33                                       
CONECT   29   39   30   30   28                                       
CONECT   30   29   29   31   86                                       
CONECT   31   30   32   32   87                                       
CONECT   32   31   31   33   88                                       
CONECT   33   28   28   32   89                                       
CONECT   34    3   27    2                                            
CONECT   35    8   26    7                                            
CONECT   36   11   12   26                                            
CONECT   37   19   17   16                                            
CONECT   38   42   42   21   41                                       
CONECT   39   44   44   45   29                                       
CONECT   40   11   11                                                 
CONECT   41   38                                                      
CONECT   42   38   38                                                 
CONECT   43   26   26                                                 
CONECT   44   39   39                                                 
CONECT   45   39                                                      
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    1                                                      
CONECT   49    2                                                      
CONECT   50    2                                                      
CONECT   51    3                                                      
CONECT   52    3                                                      
CONECT   53    4                                                      
CONECT   54    4                                                      
CONECT   55    5                                                      
CONECT   56    5                                                      
CONECT   57    6                                                      
CONECT   58    6                                                      
CONECT   59    7                                                      
CONECT   60    7                                                      
CONECT   61    9                                                      
CONECT   62    9                                                      
CONECT   63    9                                                      
CONECT   64   10                                                      
CONECT   65   12                                                      
CONECT   66   13                                                      
CONECT   67   14                                                      
CONECT   68   14                                                      
CONECT   69   15                                                      
CONECT   70   15                                                      
CONECT   71   16                                                      
CONECT   72   16                                                      
CONECT   73   17                                                      
CONECT   74   17                                                      
CONECT   75   18                                                      
CONECT   76   18                                                      
CONECT   77   18                                                      
CONECT   78   19                                                      
CONECT   79   19                                                      
CONECT   80   22                                                      
CONECT   81   23                                                      
CONECT   82   24                                                      
CONECT   83   25                                                      
CONECT   84   27                                                      
CONECT   85   27                                                      
CONECT   86   30                                                      
CONECT   87   31                                                      
CONECT   88   32                                                      
CONECT   89   33                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
