COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.184   3.858   3.707  1.00  0.00           O  
HETATM    2  C   UNL     1      -2.829   4.013   2.677  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.291   3.711   2.670  1.00  0.00           C  
HETATM    4  N   UNL     1      -2.357   4.454   1.465  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.956   4.809   1.248  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.214   3.538   0.843  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.788   5.870   0.150  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.471   7.200   0.481  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.240   8.232  -0.626  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.952   9.547  -0.314  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.386   9.324  -0.169  1.00  0.00           N  
HETATM   12  C   UNL     1      -4.185  10.068   0.672  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.776  11.349   1.136  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.542  11.898   0.751  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.152  13.156   1.213  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.987  13.880   2.063  1.00  0.00           C  
HETATM   17 CL   UNL     1      -2.500  15.430   2.630  1.00  0.00          Cl  
HETATM   18  C   UNL     1      -5.448   9.584   1.109  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.924   8.330   0.696  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.167   7.866   1.132  1.00  0.00           C  
HETATM   21  O   UNL     1      -7.618   6.647   0.725  1.00  0.00           O  
HETATM   22  C   UNL     1      -8.895   6.234   1.207  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.947   8.646   1.983  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.490   9.895   2.402  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.245  10.366   1.970  1.00  0.00           C  
HETATM   26  N   UNL     1      -5.797  11.570   2.371  1.00  0.00           N1+
HETATM   27  C   UNL     1      -4.612  12.089   1.996  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.215  13.349   2.456  1.00  0.00           C  
HETATM   29  N   UNL     1      -3.908  -7.651  -1.308  1.00  0.00           N  
HETATM   30  C   UNL     1      -3.176  -6.962  -2.393  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.671  -7.047  -2.161  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.858  -6.383  -3.278  1.00  0.00           C  
HETATM   33  C   UNL     1       0.646  -6.484  -3.002  1.00  0.00           C  
HETATM   34  C   UNL     1       1.483  -5.779  -4.068  1.00  0.00           C  
HETATM   35  N   UNL     1       1.130  -4.372  -4.210  1.00  0.00           N  
HETATM   36  N   UNL     1       1.323  -3.739  -2.938  1.00  0.00           N  
HETATM   37  C   UNL     1       0.999  -2.322  -3.088  1.00  0.00           C  
HETATM   38  C   UNL     1       1.231  -1.649  -1.738  1.00  0.00           C  
HETATM   39  O   UNL     1       0.601  -1.946  -0.724  1.00  0.00           O  
HETATM   40  N   UNL     1       2.210  -0.664  -1.802  1.00  0.00           N  
HETATM   41  C   UNL     1       2.604   0.137  -0.671  1.00  0.00           C  
HETATM   42  C   UNL     1       2.975   1.538  -1.132  1.00  0.00           C  
HETATM   43  O   UNL     1       3.545   1.790  -2.186  1.00  0.00           O  
HETATM   44  C   UNL     1       2.660   2.717  -0.250  1.00  0.00           C  
HETATM   45  O   UNL     1       2.996   3.821  -0.654  1.00  0.00           O  
HETATM   46  C   UNL     1       2.004   2.426   1.083  1.00  0.00           C  
HETATM   47  N   UNL     1       1.094   3.523   1.309  1.00  0.00           N  
HETATM   48  O   UNL     1      -0.739   2.633   0.196  1.00  0.00           O  
HETATM   49  C   UNL     1       3.025   2.336   2.218  1.00  0.00           C  
HETATM   50  C   UNL     1       2.436   2.084   3.611  1.00  0.00           C  
HETATM   51  C   UNL     1       3.436   2.053   4.770  1.00  0.00           C  
HETATM   52  C   UNL     1       2.790   1.768   6.124  1.00  0.00           C  
HETATM   53  N   UNL     1       2.119   0.473   6.098  1.00  0.00           N  
HETATM   54  C   UNL     1       3.745  -0.554   0.084  1.00  0.00           C  
HETATM   55  C   UNL     1       5.027  -0.697  -0.743  1.00  0.00           C  
HETATM   56  C   UNL     1       6.137  -1.368   0.071  1.00  0.00           C  
HETATM   57  C   UNL     1       7.405  -1.542  -0.764  1.00  0.00           C  
HETATM   58  N   UNL     1       8.452  -2.173   0.030  1.00  0.00           N  
HETATM   59  C   UNL     1      -0.457  -2.100  -3.525  1.00  0.00           C  
HETATM   60  C   UNL     1      -0.819  -0.623  -3.709  1.00  0.00           C  
HETATM   61  C   UNL     1      -2.266  -0.462  -4.182  1.00  0.00           C  
HETATM   62  C   UNL     1      -2.638   1.013  -4.330  1.00  0.00           C  
HETATM   63  N   UNL     1      -4.025   1.144  -4.760  1.00  0.00           N  
HETATM   64  C   UNL     1       1.292  -6.404  -5.434  1.00  0.00           C  
HETATM   65  O   UNL     1       0.812  -5.804  -6.391  1.00  0.00           O  
HETATM   66  H   UNL     1      -4.505   2.663   2.938  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.849   4.317   3.401  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.802   3.874   1.708  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.002   4.536   0.694  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.540   5.180   2.192  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.203   5.483  -0.790  1.00  0.00           H  
HETATM   72  H   UNL     1       0.280   6.043  -0.042  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.086   7.598   1.426  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.548   7.037   0.610  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.163   8.410  -0.740  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.604   7.832  -1.581  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.777  10.273  -1.115  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.562   9.975   0.616  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.798   8.588  -0.719  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.863  11.366   0.089  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.192  13.560   0.901  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.342   7.694   0.032  1.00  0.00           H  
HETATM   83  H   UNL     1      -9.572   7.091   1.231  1.00  0.00           H  
HETATM   84  H   UNL     1      -8.788   5.812   2.210  1.00  0.00           H  
HETATM   85  H   UNL     1      -9.299   5.472   0.535  1.00  0.00           H  
HETATM   86  H   UNL     1      -8.915   8.287   2.324  1.00  0.00           H  
HETATM   87  H   UNL     1      -8.106  10.495   3.067  1.00  0.00           H  
HETATM   88  H   UNL     1      -6.389  12.121   2.994  1.00  0.00           H  
HETATM   89  H   UNL     1      -4.868  13.911   3.120  1.00  0.00           H  
HETATM   90  H   UNL     1      -4.738  -7.225  -0.983  1.00  0.00           H  
HETATM   91  H   UNL     1      -3.433  -8.377  -0.834  1.00  0.00           H  
HETATM   92  H   UNL     1      -3.514  -5.923  -2.452  1.00  0.00           H  
HETATM   93  H   UNL     1      -3.430  -7.456  -3.336  1.00  0.00           H  
HETATM   94  H   UNL     1      -1.390  -8.105  -2.099  1.00  0.00           H  
HETATM   95  H   UNL     1      -1.415  -6.589  -1.197  1.00  0.00           H  
HETATM   96  H   UNL     1      -1.137  -5.327  -3.369  1.00  0.00           H  
HETATM   97  H   UNL     1      -1.095  -6.866  -4.233  1.00  0.00           H  
HETATM   98  H   UNL     1       0.937  -7.541  -2.938  1.00  0.00           H  
HETATM   99  H   UNL     1       0.857  -6.043  -2.020  1.00  0.00           H  
HETATM  100  H   UNL     1       2.553  -5.815  -3.835  1.00  0.00           H  
HETATM  101  H   UNL     1       1.741  -3.939  -4.901  1.00  0.00           H  
HETATM  102  H   UNL     1       2.297  -3.830  -2.656  1.00  0.00           H  
HETATM  103  H   UNL     1       1.680  -1.885  -3.828  1.00  0.00           H  
HETATM  104  H   UNL     1       2.684  -0.496  -2.687  1.00  0.00           H  
HETATM  105  H   UNL     1       1.715   0.220  -0.036  1.00  0.00           H  
HETATM  106  H   UNL     1       1.388   1.526   1.022  1.00  0.00           H  
HETATM  107  H   UNL     1       1.444   4.323   1.830  1.00  0.00           H  
HETATM  108  H   UNL     1       3.740   1.530   2.004  1.00  0.00           H  
HETATM  109  H   UNL     1       3.622   3.256   2.241  1.00  0.00           H  
HETATM  110  H   UNL     1       1.899   1.127   3.585  1.00  0.00           H  
HETATM  111  H   UNL     1       1.677   2.846   3.825  1.00  0.00           H  
HETATM  112  H   UNL     1       3.939   3.028   4.805  1.00  0.00           H  
HETATM  113  H   UNL     1       4.220   1.315   4.568  1.00  0.00           H  
HETATM  114  H   UNL     1       2.049   2.536   6.367  1.00  0.00           H  
HETATM  115  H   UNL     1       3.548   1.770   6.915  1.00  0.00           H  
HETATM  116  H   UNL     1       1.363   0.321   6.731  1.00  0.00           H  
HETATM  117  H   UNL     1       2.560  -0.275   5.605  1.00  0.00           H  
HETATM  118  H   UNL     1       3.415  -1.557   0.387  1.00  0.00           H  
HETATM  119  H   UNL     1       3.969  -0.013   1.011  1.00  0.00           H  
HETATM  120  H   UNL     1       4.821  -1.289  -1.642  1.00  0.00           H  
HETATM  121  H   UNL     1       5.376   0.287  -1.072  1.00  0.00           H  
HETATM  122  H   UNL     1       6.357  -0.759   0.958  1.00  0.00           H  
HETATM  123  H   UNL     1       5.791  -2.346   0.427  1.00  0.00           H  
HETATM  124  H   UNL     1       7.196  -2.165  -1.640  1.00  0.00           H  
HETATM  125  H   UNL     1       7.759  -0.569  -1.123  1.00  0.00           H  
HETATM  126  H   UNL     1       8.407  -2.086   1.023  1.00  0.00           H  
HETATM  127  H   UNL     1       9.273  -2.490  -0.440  1.00  0.00           H  
HETATM  128  H   UNL     1      -1.128  -2.538  -2.774  1.00  0.00           H  
HETATM  129  H   UNL     1      -0.654  -2.646  -4.457  1.00  0.00           H  
HETATM  130  H   UNL     1      -0.150  -0.159  -4.443  1.00  0.00           H  
HETATM  131  H   UNL     1      -0.682  -0.091  -2.760  1.00  0.00           H  
HETATM  132  H   UNL     1      -2.396  -0.977  -5.142  1.00  0.00           H  
HETATM  133  H   UNL     1      -2.941  -0.944  -3.463  1.00  0.00           H  
HETATM  134  H   UNL     1      -1.983   1.497  -5.063  1.00  0.00           H  
HETATM  135  H   UNL     1      -2.510   1.531  -3.374  1.00  0.00           H  
HETATM  136  H   UNL     1      -4.742   1.058  -4.072  1.00  0.00           H  
HETATM  137  H   UNL     1      -4.220   1.111  -5.739  1.00  0.00           H  
HETATM  138  H   UNL     1       1.522  -7.481  -5.522  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   66   67   68                                       
CONECT    4    2    5   69                                            
CONECT    5    4    6    7   70                                       
CONECT    6    5   47   48   48                                       
CONECT    7    5    8   71   72                                       
CONECT    8    7    9   73   74                                       
CONECT    9    8   10   75   76                                       
CONECT   10    9   11   77   78                                       
CONECT   11   10   12   79                                            
CONECT   12   11   13   18   18                                       
CONECT   13   12   14   14   27                                       
CONECT   14   13   13   15   80                                       
CONECT   15   14   16   16   81                                       
CONECT   16   15   15   17   28                                       
CONECT   17   16                                                      
CONECT   18   12   12   19   25                                       
CONECT   19   18   20   20   82                                       
CONECT   20   19   19   21   23                                       
CONECT   21   20   22                                                 
CONECT   22   21   83   84   85                                       
CONECT   23   20   24   24   86                                       
CONECT   24   23   23   25   87                                       
CONECT   25   18   24   26   26                                       
CONECT   26   25   25   27   88                                       
CONECT   27   13   26   28   28                                       
CONECT   28   16   27   27   89                                       
CONECT   29   30   90   91                                            
CONECT   30   29   31   92   93                                       
CONECT   31   30   32   94   95                                       
CONECT   32   31   33   96   97                                       
CONECT   33   32   34   98   99                                       
CONECT   34   33   35   64  100                                       
CONECT   35   34   36  101                                            
CONECT   36   35   37  102                                            
CONECT   37   36   38   59  103                                       
CONECT   38   37   39   39   40                                       
CONECT   39   38   38                                                 
CONECT   40   38   41  104                                            
CONECT   41   40   42   54  105                                       
CONECT   42   41   43   43   44                                       
CONECT   43   42   42                                                 
CONECT   44   42   45   45   46                                       
CONECT   45   44   44                                                 
CONECT   46   44   47   49  106                                       
CONECT   47    6   46  107                                            
CONECT   48    6    6                                                 
CONECT   49   46   50  108  109                                       
CONECT   50   49   51  110  111                                       
CONECT   51   50   52  112  113                                       
CONECT   52   51   53  114  115                                       
CONECT   53   52  116  117                                            
CONECT   54   41   55  118  119                                       
CONECT   55   54   56  120  121                                       
CONECT   56   55   57  122  123                                       
CONECT   57   56   58  124  125                                       
CONECT   58   57  126  127                                            
CONECT   59   37   60  128  129                                       
CONECT   60   59   61  130  131                                       
CONECT   61   60   62  132  133                                       
CONECT   62   61   63  134  135                                       
CONECT   63   62  136  137                                            
CONECT   64   34   65   65  138                                       
CONECT   65   64   64                                                 
CONECT   66    3                                                      
CONECT   67    3                                                      
CONECT   68    3                                                      
CONECT   69    4                                                      
CONECT   70    5                                                      
CONECT   71    7                                                      
CONECT   72    7                                                      
CONECT   73    8                                                      
CONECT   74    8                                                      
CONECT   75    9                                                      
CONECT   76    9                                                      
CONECT   77   10                                                      
CONECT   78   10                                                      
CONECT   79   11                                                      
CONECT   80   14                                                      
CONECT   81   15                                                      
CONECT   82   19                                                      
CONECT   83   22                                                      
CONECT   84   22                                                      
CONECT   85   22                                                      
CONECT   86   23                                                      
CONECT   87   24                                                      
CONECT   88   26                                                      
CONECT   89   28                                                      
CONECT   90   29                                                      
CONECT   91   29                                                      
CONECT   92   30                                                      
CONECT   93   30                                                      
CONECT   94   31                                                      
CONECT   95   31                                                      
CONECT   96   32                                                      
CONECT   97   32                                                      
CONECT   98   33                                                      
CONECT   99   33                                                      
CONECT  100   34                                                      
CONECT  101   35                                                      
CONECT  102   36                                                      
CONECT  103   37                                                      
CONECT  104   40                                                      
CONECT  105   41                                                      
CONECT  106   46                                                      
CONECT  107   47                                                      
CONECT  108   49                                                      
CONECT  109   49                                                      
CONECT  110   50                                                      
CONECT  111   50                                                      
CONECT  112   51                                                      
CONECT  113   51                                                      
CONECT  114   52                                                      
CONECT  115   52                                                      
CONECT  116   53                                                      
CONECT  117   53                                                      
CONECT  118   54                                                      
CONECT  119   54                                                      
CONECT  120   55                                                      
CONECT  121   55                                                      
CONECT  122   56                                                      
CONECT  123   56                                                      
CONECT  124   57                                                      
CONECT  125   57                                                      
CONECT  126   58                                                      
CONECT  127   58                                                      
CONECT  128   59                                                      
CONECT  129   59                                                      
CONECT  130   60                                                      
CONECT  131   60                                                      
CONECT  132   61                                                      
CONECT  133   61                                                      
CONECT  134   62                                                      
CONECT  135   62                                                      
CONECT  136   63                                                      
CONECT  137   63                                                      
CONECT  138   64                                                      
MASTER        0    0    0    0    0    0    0    0  138    0  138    0
END
