COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1     -16.100  -2.328   2.435  1.00  0.00          Cl  
HETATM    2  C   UNL     1     -15.835  -1.642   0.863  1.00  0.00           C  
HETATM    3  C   UNL     1     -16.907  -1.171   0.120  1.00  0.00           C  
HETATM    4  O   UNL     1     -18.164  -1.250   0.628  1.00  0.00           O  
HETATM    5  C   UNL     1     -16.705  -0.619  -1.141  1.00  0.00           C  
HETATM    6  C   UNL     1     -15.446  -0.533  -1.665  1.00  0.00           C  
HETATM    7  C   UNL     1     -14.354  -1.003  -0.930  1.00  0.00           C  
HETATM    8  C   UNL     1     -14.549  -1.557   0.348  1.00  0.00           C  
HETATM    9  O   UNL     1      12.482  -2.472  -1.184  1.00  0.00           O  
HETATM   10  O   UNL     1     -13.493  -2.005   1.059  1.00  0.00           O  
HETATM   11  C   UNL     1     -12.239  -1.936   0.586  1.00  0.00           C  
HETATM   12  O   UNL     1     -11.322  -2.355   1.270  1.00  0.00           O  
HETATM   13  C   UNL     1     -12.990  -0.924  -1.469  1.00  0.00           C  
HETATM   14  O   UNL     1     -12.753  -0.393  -2.693  1.00  0.00           O  
HETATM   15  C   UNL     1     -11.955  -1.391  -0.682  1.00  0.00           C  
HETATM   16  C   UNL     1       6.819  -2.007  -0.665  1.00  0.00           C  
HETATM   17  N   UNL     1     -10.631  -1.333  -1.146  1.00  0.00           N  
HETATM   18  C   UNL     1      -9.706  -0.634  -0.460  1.00  0.00           C  
HETATM   19  O   UNL     1      -9.996  -0.124   0.607  1.00  0.00           O  
HETATM   20  C   UNL     1      -8.353  -0.488  -0.997  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.421   0.216  -0.306  1.00  0.00           C  
HETATM   22  C   UNL     1      10.616  -2.158   0.341  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.117   0.357  -0.823  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.183   1.063  -0.130  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.880   1.204  -0.647  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.945   1.910   0.046  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.642   2.051  -0.472  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.709   2.756   0.220  1.00  0.00           C  
HETATM   29  C   UNL     1       0.601   2.897  -0.300  1.00  0.00           C  
HETATM   30  O   UNL     1       0.891   2.388  -1.366  1.00  0.00           O  
HETATM   31  O   UNL     1       1.528   3.597   0.387  1.00  0.00           O  
HETATM   32  C   UNL     1       2.829   3.700  -0.197  1.00  0.00           C  
HETATM   33  C   UNL     1       3.482   5.016   0.235  1.00  0.00           C  
HETATM   34  O   UNL     1       2.706   6.133  -0.274  1.00  0.00           O  
HETATM   35  C   UNL     1       2.717   7.263   0.451  1.00  0.00           C  
HETATM   36  C   UNL     1       1.935   8.464  -0.015  1.00  0.00           C  
HETATM   37  O   UNL     1       3.353   7.317   1.476  1.00  0.00           O  
HETATM   38  C   UNL     1       4.903   5.081  -0.330  1.00  0.00           C  
HETATM   39  C   UNL     1       5.584   6.365   0.147  1.00  0.00           C  
HETATM   40  O   UNL     1       5.648   3.949   0.126  1.00  0.00           O  
HETATM   41  C   UNL     1       3.697   2.531   0.279  1.00  0.00           C  
HETATM   42  C   UNL     1       5.110   2.692  -0.288  1.00  0.00           C  
HETATM   43  C   UNL     1       5.987   1.578   0.224  1.00  0.00           C  
HETATM   44  C   UNL     1       6.768   1.781   1.346  1.00  0.00           C  
HETATM   45  C   UNL     1       7.581   0.768   1.819  1.00  0.00           C  
HETATM   46  C   UNL     1       7.605  -0.457   1.158  1.00  0.00           C  
HETATM   47  C   UNL     1       8.473  -1.562   1.624  1.00  0.00           C  
HETATM   48  O   UNL     1       8.653  -1.798   2.799  1.00  0.00           O  
HETATM   49  C   UNL     1       6.002   0.355  -0.436  1.00  0.00           C  
HETATM   50  O   UNL     1       5.228   0.167  -1.538  1.00  0.00           O  
HETATM   51  C   UNL     1       6.805  -0.671   0.029  1.00  0.00           C  
HETATM   52  O   UNL     1       5.982  -2.920   0.049  1.00  0.00           O  
HETATM   53  C   UNL     1       8.244  -2.565  -0.722  1.00  0.00           C  
HETATM   54  O   UNL     1       8.544  -3.635   0.192  1.00  0.00           O  
HETATM   55  C   UNL     1       9.124  -2.382   0.517  1.00  0.00           C  
HETATM   56  O   UNL     1      10.877  -0.754   0.405  1.00  0.00           O  
HETATM   57  C   UNL     1       8.868  -2.675  -2.108  1.00  0.00           C  
HETATM   58  O   UNL     1       8.049  -1.980  -3.050  1.00  0.00           O  
HETATM   59  C   UNL     1      10.271  -2.067  -2.113  1.00  0.00           C  
HETATM   60  C   UNL     1      11.090  -2.735  -0.998  1.00  0.00           C  
HETATM   61  C   UNL     1      10.828  -4.242  -1.036  1.00  0.00           C  
HETATM   62  C   UNL     1      11.384  -4.926   0.175  1.00  0.00           C  
HETATM   63  C   UNL     1      11.680  -6.401   0.091  1.00  0.00           C  
HETATM   64  C   UNL     1      11.629  -4.298   1.319  1.00  0.00           C  
HETATM   65  C   UNL     1      11.371  -2.860   1.446  1.00  0.00           C  
HETATM   66  O   UNL     1      11.780  -2.247   2.410  1.00  0.00           O  
HETATM   67  H   UNL     1     -10.383  -1.797  -1.961  1.00  0.00           H  
HETATM   68  H   UNL     1       4.344  -0.172  -1.344  1.00  0.00           H  
HETATM   69  H   UNL     1       5.062  -2.632   0.126  1.00  0.00           H  
HETATM   70  H   UNL     1       6.437  -1.891  -1.679  1.00  0.00           H  
HETATM   71  H   UNL     1      12.835  -2.797  -2.023  1.00  0.00           H  
HETATM   72  H   UNL     1       8.930  -3.725  -2.392  1.00  0.00           H  
HETATM   73  H   UNL     1      11.810  -0.523   0.306  1.00  0.00           H  
HETATM   74  H   UNL     1      10.746  -2.248  -3.077  1.00  0.00           H  
HETATM   75  H   UNL     1      10.207  -0.994  -1.930  1.00  0.00           H  
HETATM   76  H   UNL     1       9.753  -4.416  -1.082  1.00  0.00           H  
HETATM   77  H   UNL     1      11.294  -4.662  -1.928  1.00  0.00           H  
HETATM   78  H   UNL     1      12.705  -6.548  -0.248  1.00  0.00           H  
HETATM   79  H   UNL     1      11.555  -6.853   1.075  1.00  0.00           H  
HETATM   80  H   UNL     1      10.993  -6.870  -0.614  1.00  0.00           H  
HETATM   81  H   UNL     1      12.020  -4.850   2.160  1.00  0.00           H  
HETATM   82  H   UNL     1       8.193   0.926   2.695  1.00  0.00           H  
HETATM   83  H   UNL     1       6.744   2.734   1.854  1.00  0.00           H  
HETATM   84  H   UNL     1       5.072   2.653  -1.376  1.00  0.00           H  
HETATM   85  H   UNL     1       3.740   2.529   1.368  1.00  0.00           H  
HETATM   86  H   UNL     1       3.269   1.592  -0.072  1.00  0.00           H  
HETATM   87  H   UNL     1       2.744   3.672  -1.283  1.00  0.00           H  
HETATM   88  H   UNL     1       3.520   5.064   1.323  1.00  0.00           H  
HETATM   89  H   UNL     1       4.862   5.074  -1.419  1.00  0.00           H  
HETATM   90  H   UNL     1       5.626   6.372   1.236  1.00  0.00           H  
HETATM   91  H   UNL     1       6.596   6.411  -0.256  1.00  0.00           H  
HETATM   92  H   UNL     1       5.016   7.228  -0.201  1.00  0.00           H  
HETATM   93  H   UNL     1       1.429   8.227  -0.951  1.00  0.00           H  
HETATM   94  H   UNL     1       1.196   8.731   0.740  1.00  0.00           H  
HETATM   95  H   UNL     1       2.614   9.302  -0.171  1.00  0.00           H  
HETATM   96  H   UNL     1      -0.966   3.208   1.166  1.00  0.00           H  
HETATM   97  H   UNL     1      -1.385   1.599  -1.418  1.00  0.00           H  
HETATM   98  H   UNL     1      -3.202   2.362   0.992  1.00  0.00           H  
HETATM   99  H   UNL     1      -3.623   0.752  -1.594  1.00  0.00           H  
HETATM  100  H   UNL     1      -5.440   1.515   0.816  1.00  0.00           H  
HETATM  101  H   UNL     1      -5.860  -0.095  -1.770  1.00  0.00           H  
HETATM  102  H   UNL     1      -7.678   0.668   0.641  1.00  0.00           H  
HETATM  103  H   UNL     1      -8.096  -0.940  -1.943  1.00  0.00           H  
HETATM  104  H   UNL     1     -11.820  -0.392  -2.946  1.00  0.00           H  
HETATM  105  H   UNL     1     -18.431  -0.474   1.140  1.00  0.00           H  
HETATM  106  H   UNL     1     -15.295  -0.104  -2.644  1.00  0.00           H  
HETATM  107  H   UNL     1     -17.549  -0.256  -1.710  1.00  0.00           H  
HETATM  108  H   UNL     1       8.375  -2.019  -3.959  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    8    8    3                                       
CONECT    3    2    4    5    5                                       
CONECT    4    3  105                                                 
CONECT    5    3    3    6  107                                       
CONECT    6    7    7    5  106                                       
CONECT    7    8   13    6    6                                       
CONECT    8   10    2    2    7                                       
CONECT    9   60   71                                                 
CONECT   10   11    8                                                 
CONECT   11   12   12   10   15                                       
CONECT   12   11   11                                                 
CONECT   13   15   15    7   14                                       
CONECT   14   13  104                                                 
CONECT   15   11   17   13   13                                       
CONECT   16   52   53   51   70                                       
CONECT   17   15   18   67                                            
CONECT   18   17   20   19   19                                       
CONECT   19   18   18                                                 
CONECT   20   18   21   21  103                                       
CONECT   21   20   20   23  102                                       
CONECT   22   60   55   56   65                                       
CONECT   23   21   24   24  101                                       
CONECT   24   23   23   25  100                                       
CONECT   25   24   26   26   99                                       
CONECT   26   25   25   27   98                                       
CONECT   27   26   28   28   97                                       
CONECT   28   27   27   29   96                                       
CONECT   29   30   30   28   31                                       
CONECT   30   29   29                                                 
CONECT   31   29   32                                                 
CONECT   32   41   31   33   87                                       
CONECT   33   32   34   38   88                                       
CONECT   34   33   35                                                 
CONECT   35   34   37   37   36                                       
CONECT   36   35   93   94   95                                       
CONECT   37   35   35                                                 
CONECT   38   33   40   39   89                                       
CONECT   39   38   90   91   92                                       
CONECT   40   42   38                                                 
CONECT   41   32   42   85   86                                       
CONECT   42   41   43   40   84                                       
CONECT   43   49   42   44   44                                       
CONECT   44   43   43   45   83                                       
CONECT   45   46   46   44   82                                       
CONECT   46   51   47   45   45                                       
CONECT   47   55   46   48   48                                       
CONECT   48   47   47                                                 
CONECT   49   50   51   51   43                                       
CONECT   50   49   68                                                 
CONECT   51   16   49   49   46                                       
CONECT   52   16   69                                                 
CONECT   53   57   16   54   55                                       
CONECT   54   53   55                                                 
CONECT   55   53   54   22   47                                       
CONECT   56   22   73                                                 
CONECT   57   58   59   53   72                                       
CONECT   58   57  108                                                 
CONECT   59   57   60   74   75                                       
CONECT   60   59   61    9   22                                       
CONECT   61   60   62   76   77                                       
CONECT   62   61   63   64   64                                       
CONECT   63   62   78   79   80                                       
CONECT   64   62   62   65   81                                       
CONECT   65   22   64   66   66                                       
CONECT   66   65   65                                                 
CONECT   67   17                                                      
CONECT   68   50                                                      
CONECT   69   52                                                      
CONECT   70   16                                                      
CONECT   71    9                                                      
CONECT   72   57                                                      
CONECT   73   56                                                      
CONECT   74   59                                                      
CONECT   75   59                                                      
CONECT   76   61                                                      
CONECT   77   61                                                      
CONECT   78   63                                                      
CONECT   79   63                                                      
CONECT   80   63                                                      
CONECT   81   64                                                      
CONECT   82   45                                                      
CONECT   83   44                                                      
CONECT   84   42                                                      
CONECT   85   41                                                      
CONECT   86   41                                                      
CONECT   87   32                                                      
CONECT   88   33                                                      
CONECT   89   38                                                      
CONECT   90   39                                                      
CONECT   91   39                                                      
CONECT   92   39                                                      
CONECT   93   36                                                      
CONECT   94   36                                                      
CONECT   95   36                                                      
CONECT   96   28                                                      
CONECT   97   27                                                      
CONECT   98   26                                                      
CONECT   99   25                                                      
CONECT  100   24                                                      
CONECT  101   23                                                      
CONECT  102   21                                                      
CONECT  103   20                                                      
CONECT  104   14                                                      
CONECT  105    4                                                      
CONECT  106    6                                                      
CONECT  107    5                                                      
CONECT  108   58                                                      
MASTER        0    0    0    0    0    0    0    0  108    0  108    0
END
