COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.270  -2.732   1.304  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.792  -0.616  -0.324  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.543  -1.112  -1.620  1.00  0.00           C  
HETATM    4  N   UNL     1      -8.097  -2.146   0.236  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.410  -1.886  -1.860  1.00  0.00           C  
HETATM    6  O   UNL     1       7.520  -1.849   0.016  1.00  0.00           O  
HETATM    7  C   UNL     1      -3.928   6.430   0.998  1.00  0.00           C  
HETATM    8  O   UNL     1      -3.471  -0.140  -2.510  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.903   1.591   0.119  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.993   0.199  -0.061  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.654   2.246   0.046  1.00  0.00           C  
HETATM   12  O   UNL     1      -2.244  -1.289  -3.958  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.584   3.586   0.215  1.00  0.00           C  
HETATM   14  O   UNL     1       0.970  -1.559   2.668  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.800   4.355   0.474  1.00  0.00           C  
HETATM   16  N   UNL     1      -2.728   5.670   0.639  1.00  0.00           N1+
HETATM   17  C   UNL     1      -1.449   6.362   0.461  1.00  0.00           C  
HETATM   18  O   UNL     1       5.106  -3.139   0.893  1.00  0.00           O  
HETATM   19  C   UNL     1       0.468  -2.166  -0.833  1.00  0.00           C  
HETATM   20  C   UNL     1       0.229  -1.677   0.454  1.00  0.00           C  
HETATM   21  C   UNL     1       1.177  -1.983   1.549  1.00  0.00           C  
HETATM   22  C   UNL     1       3.209  -3.034   2.387  1.00  0.00           C  
HETATM   23  C   UNL     1       4.353  -3.893   1.845  1.00  0.00           C  
HETATM   24  C   UNL     1       6.205  -3.853   0.323  1.00  0.00           C  
HETATM   25  C   UNL     1       6.934  -2.953  -0.676  1.00  0.00           C  
HETATM   26  C   UNL     1       8.229  -0.942  -0.830  1.00  0.00           C  
HETATM   27  C   UNL     1       8.810   0.194   0.013  1.00  0.00           C  
HETATM   28  C   UNL     1       9.570   1.165  -0.893  1.00  0.00           C  
HETATM   29  C   UNL     1      10.151   2.302  -0.049  1.00  0.00           C  
HETATM   30  C   UNL     1      10.910   3.273  -0.956  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.900  -0.903   0.709  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.483  -0.814  -2.721  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.049   3.704   0.548  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.124   2.353   0.377  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.447   0.394   0.275  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.323  -0.416   0.022  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.477  -1.798  -0.156  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.717  -2.359  -0.084  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.837  -1.562   0.166  1.00  0.00           C  
HETATM   40  C   UNL     1      -9.288  -1.303   0.370  1.00  0.00           C  
HETATM   41  C   UNL     1      -8.233  -3.603   0.177  1.00  0.00           C  
HETATM   42  C   UNL     1      -6.702  -0.192   0.344  1.00  0.00           C  
HETATM   43  O   UNL     1      11.453   4.334  -0.168  1.00  0.00           O  
HETATM   44  O   UNL     1      -5.318   1.727   0.448  1.00  0.00           O  
HETATM   45  H   UNL     1       2.434  -3.074   0.411  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.218  -2.267  -2.852  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.013   6.482   2.084  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.855   7.438   0.591  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.808   5.935   0.588  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.756   1.677  -0.145  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.887  -1.067  -4.646  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.629   4.087   0.160  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.045   6.132  -0.525  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.602   7.438   0.550  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.747   6.031   1.227  1.00  0.00           H  
HETATM   56  H   UNL     1       1.346  -2.766  -1.025  1.00  0.00           H  
HETATM   57  H   UNL     1       3.611  -2.105   2.789  1.00  0.00           H  
HETATM   58  H   UNL     1       2.690  -3.577   3.177  1.00  0.00           H  
HETATM   59  H   UNL     1       3.945  -4.782   1.364  1.00  0.00           H  
HETATM   60  H   UNL     1       5.004  -4.193   2.668  1.00  0.00           H  
HETATM   61  H   UNL     1       6.893  -4.151   1.114  1.00  0.00           H  
HETATM   62  H   UNL     1       5.834  -4.740  -0.190  1.00  0.00           H  
HETATM   63  H   UNL     1       6.225  -2.583  -1.417  1.00  0.00           H  
HETATM   64  H   UNL     1       7.716  -3.525  -1.176  1.00  0.00           H  
HETATM   65  H   UNL     1       9.038  -1.472  -1.333  1.00  0.00           H  
HETATM   66  H   UNL     1       7.547  -0.530  -1.574  1.00  0.00           H  
HETATM   67  H   UNL     1       8.001   0.724   0.516  1.00  0.00           H  
HETATM   68  H   UNL     1       9.492  -0.217   0.757  1.00  0.00           H  
HETATM   69  H   UNL     1      10.379   0.636  -1.396  1.00  0.00           H  
HETATM   70  H   UNL     1       8.888   1.577  -1.637  1.00  0.00           H  
HETATM   71  H   UNL     1       9.342   2.832   0.453  1.00  0.00           H  
HETATM   72  H   UNL     1      10.833   1.890   0.694  1.00  0.00           H  
HETATM   73  H   UNL     1      11.719   2.743  -1.459  1.00  0.00           H  
HETATM   74  H   UNL     1      10.228   3.684  -1.700  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.087  -0.530   1.705  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.945   4.275   0.739  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.614  -2.417  -0.350  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.834  -3.423  -0.221  1.00  0.00           H  
HETATM   79  H   UNL     1      -9.503  -1.144   1.426  1.00  0.00           H  
HETATM   80  H   UNL     1      -9.110  -0.343  -0.114  1.00  0.00           H  
HETATM   81  H   UNL     1     -10.137  -1.797  -0.104  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.258  -4.052  -0.012  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.624  -3.970   1.125  1.00  0.00           H  
HETATM   84  H   UNL     1      -8.918  -3.871  -0.627  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.573   0.416   0.536  1.00  0.00           H  
HETATM   86  H   UNL     1      11.949   4.989  -0.678  1.00  0.00           H  
CONECT    1   21   22   45                                            
CONECT    2    3    3   31   10                                       
CONECT    3   32    5    2    2                                       
CONECT    4   40   41   39                                            
CONECT    5   19   19    3   46                                       
CONECT    6   25   26                                                 
CONECT    7   16   47   48   49                                       
CONECT    8   32   32                                                 
CONECT    9   10   10   34   11                                       
CONECT   10   36    2    9    9                                       
CONECT   11    9   13   13   50                                       
CONECT   12   32   51                                                 
CONECT   13   11   11   15   52                                       
CONECT   14   21   21                                                 
CONECT   15   33   13   16   16                                       
CONECT   16   15   15   17    7                                       
CONECT   17   16   53   54   55                                       
CONECT   18   23   24                                                 
CONECT   19    5    5   20   56                                       
CONECT   20   19   31   31   21                                       
CONECT   21   20    1   14   14                                       
CONECT   22    1   23   57   58                                       
CONECT   23   22   18   59   60                                       
CONECT   24   18   25   61   62                                       
CONECT   25   24    6   63   64                                       
CONECT   26    6   27   65   66                                       
CONECT   27   28   26   67   68                                       
CONECT   28   29   27   69   70                                       
CONECT   29   30   28   71   72                                       
CONECT   30   43   29   73   74                                       
CONECT   31   20   20    2   75                                       
CONECT   32    8    8    3   12                                       
CONECT   33   34   34   15   76                                       
CONECT   34   44    9   33   33                                       
CONECT   35   42   36   36   44                                       
CONECT   36   37   35   35   10                                       
CONECT   37   38   38   36   77                                       
CONECT   38   39   37   37   78                                       
CONECT   39    4   38   42   42                                       
CONECT   40    4   79   80   81                                       
CONECT   41    4   82   83   84                                       
CONECT   42   39   39   35   85                                       
CONECT   43   30   86                                                 
CONECT   44   35   34                                                 
CONECT   45    1                                                      
CONECT   46    5                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49    7                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   17                                                      
CONECT   54   17                                                      
CONECT   55   17                                                      
CONECT   56   19                                                      
CONECT   57   22                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   24                                                      
CONECT   63   25                                                      
CONECT   64   25                                                      
CONECT   65   26                                                      
CONECT   66   26                                                      
CONECT   67   27                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   28                                                      
CONECT   71   29                                                      
CONECT   72   29                                                      
CONECT   73   30                                                      
CONECT   74   30                                                      
CONECT   75   31                                                      
CONECT   76   33                                                      
CONECT   77   37                                                      
CONECT   78   38                                                      
CONECT   79   40                                                      
CONECT   80   40                                                      
CONECT   81   40                                                      
CONECT   82   41                                                      
CONECT   83   41                                                      
CONECT   84   41                                                      
CONECT   85   42                                                      
CONECT   86   43                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
