COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.592   1.204  -1.724  1.00  0.00           C  
HETATM    2  C   UNL     1       7.406   2.167  -0.487  1.00  0.00           C  
HETATM    3  C   UNL     1       7.887   4.467  -0.846  1.00  0.00           C  
HETATM    4  C   UNL     1       6.380   2.295  -1.413  1.00  0.00           C  
HETATM    5  C   UNL     1       1.976   0.223   0.218  1.00  0.00           C  
HETATM    6  C   UNL     1       3.752  -1.239  -0.504  1.00  0.00           C  
HETATM    7  C   UNL     1       4.955  -1.200  -1.448  1.00  0.00           C  
HETATM    8  C   UNL     1       5.820  -0.014  -1.110  1.00  0.00           C  
HETATM    9  C   UNL     1       6.842  -0.145  -0.188  1.00  0.00           C  
HETATM   10  C   UNL     1       7.637   0.942   0.124  1.00  0.00           C  
HETATM   11  C   UNL     1       2.946  -2.492  -0.755  1.00  0.00           C  
HETATM   12  C   UNL     1       1.350  -4.155  -0.082  1.00  0.00           C  
HETATM   13  C   UNL     1       0.037  -4.090   0.700  1.00  0.00           C  
HETATM   14  C   UNL     1       0.329  -3.714   2.155  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.649  -5.457   0.656  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.870  -3.054   0.087  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.812  -1.643   0.101  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.270  -2.107   0.112  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.407  -3.381  -0.724  1.00  0.00           C  
HETATM   20  C   UNL     1       0.972   1.271  -0.022  1.00  0.00           C  
HETATM   21  C   UNL     1       0.103   1.585   0.936  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.941   2.642   0.689  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.331   2.032   0.884  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.696  -0.328   0.819  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.394   3.009   0.379  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.298   4.319   1.164  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.783   2.398   0.575  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.985   3.169   0.026  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.150   2.371  -0.500  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.242   2.089  -1.850  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.310   1.356  -2.333  1.00  0.00           C  
HETATM   32  C   UNL     1      -9.288   0.906  -1.465  1.00  0.00           C  
HETATM   33  C   UNL     1      -9.196   1.187  -0.115  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.125   1.916   0.368  1.00  0.00           C  
HETATM   35  N   UNL     1      -1.966  -2.643   0.799  1.00  0.00           N  
HETATM   36  N   UNL     1       2.877  -0.074  -0.760  1.00  0.00           N  
HETATM   37  N   UNL     1       2.164  -2.966   0.268  1.00  0.00           N  
HETATM   38  N   UNL     1      -5.807  -3.826  -0.713  1.00  0.00           N  
HETATM   39  O   UNL     1       2.004  -0.370   1.279  1.00  0.00           O  
HETATM   40  O   UNL     1       8.182   3.239  -0.179  1.00  0.00           O  
HETATM   41  O   UNL     1      -0.635  -2.595  -1.010  1.00  0.00           O  
HETATM   42  O   UNL     1       2.988  -3.060  -1.826  1.00  0.00           O  
HETATM   43  O   UNL     1      -2.416   0.791   0.133  1.00  0.00           O  
HETATM   44  O   UNL     1      -2.855  -0.278   2.015  1.00  0.00           O  
HETATM   45  O   UNL     1      -5.701   3.090   1.424  1.00  0.00           O  
HETATM   46 CL   UNL     1       8.919   0.777   1.283  1.00  0.00          Cl  
HETATM   47  H   UNL     1       4.794   1.304  -2.445  1.00  0.00           H  
HETATM   48  H   UNL     1       8.579   5.239  -0.510  1.00  0.00           H  
HETATM   49  H   UNL     1       7.991   4.330  -1.923  1.00  0.00           H  
HETATM   50  H   UNL     1       6.865   4.770  -0.615  1.00  0.00           H  
HETATM   51  H   UNL     1       6.199   3.247  -1.890  1.00  0.00           H  
HETATM   52  H   UNL     1       4.095  -1.222   0.531  1.00  0.00           H  
HETATM   53  H   UNL     1       5.535  -2.117  -1.336  1.00  0.00           H  
HETATM   54  H   UNL     1       4.606  -1.115  -2.477  1.00  0.00           H  
HETATM   55  H   UNL     1       7.018  -1.098   0.290  1.00  0.00           H  
HETATM   56  H   UNL     1       1.891  -5.062   0.186  1.00  0.00           H  
HETATM   57  H   UNL     1       1.139  -4.153  -1.151  1.00  0.00           H  
HETATM   58  H   UNL     1       0.820  -2.741   2.187  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.606  -3.668   2.713  1.00  0.00           H  
HETATM   60  H   UNL     1       0.982  -4.465   2.600  1.00  0.00           H  
HETATM   61  H   UNL     1       0.004  -6.206   1.103  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.585  -5.412   1.214  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.856  -5.726  -0.380  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.473  -1.529  -0.929  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.579  -2.311   1.138  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.903  -1.326  -0.309  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.099  -3.176  -1.750  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.774  -4.162  -0.303  1.00  0.00           H  
HETATM   69  H   UNL     1       0.937   1.784  -0.967  1.00  0.00           H  
HETATM   70  H   UNL     1       0.152   1.082   1.892  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.802   3.463   1.391  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.847   3.014  -0.331  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.495   1.830   1.943  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.231   3.208  -0.680  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.308   4.754   1.025  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.055   5.015   0.804  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.461   4.120   2.224  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.827   1.309   0.559  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.794   4.115  -0.479  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.478   2.440  -2.528  1.00  0.00           H  
HETATM   81  H   UNL     1      -8.382   1.137  -3.388  1.00  0.00           H  
HETATM   82  H   UNL     1     -10.123   0.335  -1.842  1.00  0.00           H  
HETATM   83  H   UNL     1      -9.960   0.836   0.563  1.00  0.00           H  
HETATM   84  H   UNL     1      -8.051   2.132   1.424  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.172  -2.978   1.686  1.00  0.00           H  
HETATM   86  H   UNL     1       2.941   0.447  -1.575  1.00  0.00           H  
HETATM   87  H   UNL     1       2.147  -2.558   1.147  1.00  0.00           H  
HETATM   88  H   UNL     1      -5.923  -4.666  -1.260  1.00  0.00           H  
HETATM   89  H   UNL     1      -6.136  -3.960   0.231  1.00  0.00           H  
CONECT    1    8    4    4   47                                       
CONECT    2   10   10    4   40                                       
CONECT    3   40   48   49   50                                       
CONECT    4    2    1    1   51                                       
CONECT    5   20   36   39   39                                       
CONECT    6    7   11   36   52                                       
CONECT    7    6    8   53   54                                       
CONECT    8    7    9    9    1                                       
CONECT    9    8    8   10   55                                       
CONECT   10    9    2    2   46                                       
CONECT   11    6   37   42   42                                       
CONECT   12   13   37   56   57                                       
CONECT   13   12   14   15   16                                       
CONECT   14   13   58   59   60                                       
CONECT   15   13   61   62   63                                       
CONECT   16   13   35   41   41                                       
CONECT   17   18   24   35   64                                       
CONECT   18   17   19   65   66                                       
CONECT   19   18   38   67   68                                       
CONECT   20    5   21   21   69                                       
CONECT   21   20   20   22   70                                       
CONECT   22   21   23   71   72                                       
CONECT   23   22   25   43   73                                       
CONECT   24   17   43   44   44                                       
CONECT   25   23   26   27   74                                       
CONECT   26   25   75   76   77                                       
CONECT   27   25   28   45   78                                       
CONECT   28   27   29   45   79                                       
CONECT   29   28   30   30   34                                       
CONECT   30   29   29   31   80                                       
CONECT   31   30   32   32   81                                       
CONECT   32   31   31   33   82                                       
CONECT   33   32   34   34   83                                       
CONECT   34   29   33   33   84                                       
CONECT   35   16   17   85                                            
CONECT   36    5    6   86                                            
CONECT   37   11   12   87                                            
CONECT   38   19   88   89                                            
CONECT   39    5    5                                                 
CONECT   40    2    3                                                 
CONECT   41   16   16                                                 
CONECT   42   11   11                                                 
CONECT   43   23   24                                                 
CONECT   44   24   24                                                 
CONECT   45   27   28                                                 
CONECT   46   10                                                      
CONECT   47    1                                                      
CONECT   48    3                                                      
CONECT   49    3                                                      
CONECT   50    3                                                      
CONECT   51    4                                                      
CONECT   52    6                                                      
CONECT   53    7                                                      
CONECT   54    7                                                      
CONECT   55    9                                                      
CONECT   56   12                                                      
CONECT   57   12                                                      
CONECT   58   14                                                      
CONECT   59   14                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   15                                                      
CONECT   63   15                                                      
CONECT   64   17                                                      
CONECT   65   18                                                      
CONECT   66   18                                                      
CONECT   67   19                                                      
CONECT   68   19                                                      
CONECT   69   20                                                      
CONECT   70   21                                                      
CONECT   71   22                                                      
CONECT   72   22                                                      
CONECT   73   23                                                      
CONECT   74   25                                                      
CONECT   75   26                                                      
CONECT   76   26                                                      
CONECT   77   26                                                      
CONECT   78   27                                                      
CONECT   79   28                                                      
CONECT   80   30                                                      
CONECT   81   31                                                      
CONECT   82   32                                                      
CONECT   83   33                                                      
CONECT   84   34                                                      
CONECT   85   35                                                      
CONECT   86   36                                                      
CONECT   87   37                                                      
CONECT   88   38                                                      
CONECT   89   38                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
