COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1       9.471  -1.195  -2.194  1.00  0.00           C  
HETATM    2  C   UNL     1       7.230  -1.439  -1.176  1.00  0.00           C  
HETATM    3  C   UNL     1       6.180  -2.246  -0.732  1.00  0.00           C  
HETATM    4  C   UNL     1       5.014  -1.683  -0.306  1.00  0.00           C  
HETATM    5  C   UNL     1       4.866  -0.289  -0.312  1.00  0.00           C  
HETATM    6  C   UNL     1       3.615   0.326   0.146  1.00  0.00           C  
HETATM    7  C   UNL     1       2.489  -0.498   0.621  1.00  0.00           C  
HETATM    8  O   UNL     1      -6.618  -2.817   0.425  1.00  0.00           O  
HETATM    9  O   UNL     1       3.966   0.835   2.587  1.00  0.00           O  
HETATM   10  O   UNL     1       5.798   1.875  -0.772  1.00  0.00           O  
HETATM   11  N   UNL     1       8.414  -2.025  -1.609  1.00  0.00           N  
HETATM   12  C   UNL     1       8.606  -3.472  -1.480  1.00  0.00           C  
HETATM   13  O   UNL     1      -4.039  -4.036   0.075  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.209  -2.709  -0.803  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.071  -4.192  -1.320  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.158  -4.961  -0.565  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.097  -4.654   0.811  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.972  -3.575   1.450  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.465  -1.776   0.917  1.00  0.00           C  
HETATM   20  C   UNL     1      -8.100  -1.035  -0.261  1.00  0.00           C  
HETATM   21  C   UNL     1      -9.007   0.079   0.266  1.00  0.00           C  
HETATM   22  C   UNL     1      -9.642   0.820  -0.912  1.00  0.00           C  
HETATM   23  C   UNL     1     -10.549   1.934  -0.385  1.00  0.00           C  
HETATM   24  C   UNL     1     -11.184   2.675  -1.563  1.00  0.00           C  
HETATM   25  C   UNL     1       0.362  -2.053   1.532  1.00  0.00           C  
HETATM   26  C   UNL     1       1.140  -1.364   2.440  1.00  0.00           C  
HETATM   27  C   UNL     1       2.205  -0.583   1.999  1.00  0.00           C  
HETATM   28  C   UNL     1       3.037   0.155   2.974  1.00  0.00           C  
HETATM   29  C   UNL     1       3.528   1.730   0.116  1.00  0.00           C  
HETATM   30  C   UNL     1       2.353   2.386   0.543  1.00  0.00           C  
HETATM   31  C   UNL     1       2.284   3.737   0.509  1.00  0.00           C  
HETATM   32  C   UNL     1       4.674   2.502  -0.364  1.00  0.00           C  
HETATM   33  C   UNL     1       4.601   3.864  -0.397  1.00  0.00           C  
HETATM   34  C   UNL     1       3.425   4.516   0.031  1.00  0.00           C  
HETATM   35  C   UNL     1       2.135   6.521   0.441  1.00  0.00           C  
HETATM   36  C   UNL     1       4.496   6.624  -0.481  1.00  0.00           C  
HETATM   37  C   UNL     1       5.921   0.531  -0.759  1.00  0.00           C  
HETATM   38  C   UNL     1       7.098  -0.058  -1.194  1.00  0.00           C  
HETATM   39  C   UNL     1       1.696  -1.193  -0.292  1.00  0.00           C  
HETATM   40  C   UNL     1       0.634  -1.970   0.164  1.00  0.00           C  
HETATM   41  N   UNL     1      -1.237  -3.461  -0.363  1.00  0.00           N  
HETATM   42  N   UNL     1       3.354   5.841  -0.002  1.00  0.00           N1+
HETATM   43  O   UNL     1       0.026  -2.637  -1.993  1.00  0.00           O  
HETATM   44  O   UNL     1       2.764   0.072   4.290  1.00  0.00           O  
HETATM   45  H   UNL     1      10.141  -0.852  -1.406  1.00  0.00           H  
HETATM   46  H   UNL     1      10.033  -1.782  -2.920  1.00  0.00           H  
HETATM   47  H   UNL     1       9.024  -0.334  -2.690  1.00  0.00           H  
HETATM   48  H   UNL     1       6.292  -3.320  -0.727  1.00  0.00           H  
HETATM   49  H   UNL     1       4.204  -2.311   0.037  1.00  0.00           H  
HETATM   50  H   UNL     1       7.688  -3.928  -1.111  1.00  0.00           H  
HETATM   51  H   UNL     1       8.855  -3.893  -2.454  1.00  0.00           H  
HETATM   52  H   UNL     1       9.417  -3.670  -0.780  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.453  -4.893  -1.880  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.537  -3.488  -2.009  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.695  -5.601   0.186  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.723  -5.575  -1.267  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.701  -5.261   0.137  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.674  -5.288   1.590  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.351  -2.913   2.054  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.725  -4.045   2.083  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.248  -2.209   1.539  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.875  -1.078   1.510  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.317  -0.603  -0.883  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.691  -1.734  -0.854  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.790  -0.354   0.888  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.417   0.777   0.859  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.859   1.253  -1.534  1.00  0.00           H  
HETATM   68  H   UNL     1     -10.232   0.121  -1.505  1.00  0.00           H  
HETATM   69  H   UNL     1     -11.332   1.501   0.237  1.00  0.00           H  
HETATM   70  H   UNL     1      -9.958   2.632   0.208  1.00  0.00           H  
HETATM   71  H   UNL     1     -10.401   3.108  -2.185  1.00  0.00           H  
HETATM   72  H   UNL     1     -11.774   1.976  -2.156  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.462  -2.658   1.880  1.00  0.00           H  
HETATM   74  H   UNL     1       0.924  -1.433   3.496  1.00  0.00           H  
HETATM   75  H   UNL     1       1.510   1.811   0.896  1.00  0.00           H  
HETATM   76  H   UNL     1       1.386   4.240   0.836  1.00  0.00           H  
HETATM   77  H   UNL     1       5.442   4.442  -0.749  1.00  0.00           H  
HETATM   78  H   UNL     1       2.204   6.733   1.508  1.00  0.00           H  
HETATM   79  H   UNL     1       2.019   7.455  -0.108  1.00  0.00           H  
HETATM   80  H   UNL     1       1.273   5.880   0.253  1.00  0.00           H  
HETATM   81  H   UNL     1       5.151   6.862   0.357  1.00  0.00           H  
HETATM   82  H   UNL     1       5.049   6.045  -1.221  1.00  0.00           H  
HETATM   83  H   UNL     1       4.138   7.548  -0.936  1.00  0.00           H  
HETATM   84  H   UNL     1       7.915   0.559  -1.539  1.00  0.00           H  
HETATM   85  H   UNL     1       1.905  -1.129  -1.349  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.425  -3.519   0.587  1.00  0.00           H  
HETATM   87  H   UNL     1       3.336   0.572   4.889  1.00  0.00           H  
HETATM   88 CL   UNL     1     -12.252   3.987  -0.942  1.00  0.00          Cl  
CONECT    1   11   45   46   47                                       
CONECT    2    3    3   38   11                                       
CONECT    3    4    2    2   48                                       
CONECT    4    5    5    3   49                                       
CONECT    5    6    4    4   37                                       
CONECT    6    7   29   29    5                                       
CONECT    7   27   27   39    6                                       
CONECT    8   18   19                                                 
CONECT    9   28   28                                                 
CONECT   10   32   37                                                 
CONECT   11    2   12    1                                            
CONECT   12   11   50   51   52                                       
CONECT   13   17   16                                                 
CONECT   14   41   40   43   43                                       
CONECT   15   16   41   53   54                                       
CONECT   16   13   15   55   56                                       
CONECT   17   18   13   57   58                                       
CONECT   18   17    8   59   60                                       
CONECT   19    8   20   61   62                                       
CONECT   20   19   21   63   64                                       
CONECT   21   20   22   65   66                                       
CONECT   22   21   23   67   68                                       
CONECT   23   22   24   69   70                                       
CONECT   24   23   71   72   88                                       
CONECT   25   26   26   40   73                                       
CONECT   26   25   25   27   74                                       
CONECT   27   26   28    7    7                                       
CONECT   28   27    9    9   44                                       
CONECT   29   30    6    6   32                                       
CONECT   30   31   31   29   75                                       
CONECT   31   30   30   34   76                                       
CONECT   32   29   33   33   10                                       
CONECT   33   34   32   32   77                                       
CONECT   34   31   42   42   33                                       
CONECT   35   42   78   79   80                                       
CONECT   36   42   81   82   83                                       
CONECT   37    5   10   38   38                                       
CONECT   38   37   37    2   84                                       
CONECT   39   40   40    7   85                                       
CONECT   40   25   14   39   39                                       
CONECT   41   15   14   86                                            
CONECT   42   35   34   34   36                                       
CONECT   43   14   14                                                 
CONECT   44   28   87                                                 
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   12                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   22                                                      
CONECT   69   23                                                      
CONECT   70   23                                                      
CONECT   71   24                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   26                                                      
CONECT   75   30                                                      
CONECT   76   31                                                      
CONECT   77   33                                                      
CONECT   78   35                                                      
CONECT   79   35                                                      
CONECT   80   35                                                      
CONECT   81   36                                                      
CONECT   82   36                                                      
CONECT   83   36                                                      
CONECT   84   38                                                      
CONECT   85   39                                                      
CONECT   86   41                                                      
CONECT   87   44                                                      
CONECT   88   24                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
