COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.963   1.541  -0.335  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.626   1.242  -0.518  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.227  -0.019  -0.444  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.091  -0.993  -0.198  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.300  -2.587  -0.415  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.943  -3.774  -1.057  1.00  0.00           C  
HETATM    7  C   UNL     1       1.031  -2.022  -0.360  1.00  0.00           C  
HETATM    8  C   UNL     1       2.083  -1.120   0.001  1.00  0.00           C  
HETATM    9  C   UNL     1       2.946  -0.381   0.298  1.00  0.00           C  
HETATM   10  C   UNL     1       4.027   0.546   0.669  1.00  0.00           C  
HETATM   11  C   UNL     1       5.372  -0.036   0.228  1.00  0.00           C  
HETATM   12  C   UNL     1      11.065   1.652   1.300  1.00  0.00           C  
HETATM   13  C   UNL     1      12.076   0.620   1.752  1.00  0.00           C  
HETATM   14  C   UNL     1      13.139   0.222   0.780  1.00  0.00           C  
HETATM   15  C   UNL     1      12.660  -0.774  -0.243  1.00  0.00           C  
HETATM   16  C   UNL     1      12.052  -0.290  -1.306  1.00  0.00           C  
HETATM   17  C   UNL     1      11.883   1.204  -1.409  1.00  0.00           C  
HETATM   18  C   UNL     1      10.428   1.560  -1.110  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.849   0.493  -0.071  1.00  0.00           C  
HETATM   20  N   UNL     1      -6.198   0.745   0.124  1.00  0.00           N  
HETATM   21  C   UNL     1      -7.397  -2.418   1.569  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.748  -2.343   1.288  1.00  0.00           C  
HETATM   23  C   UNL     1      -9.261  -1.246   0.621  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.418  -0.216   0.231  1.00  0.00           C  
HETATM   25  C   UNL     1     -10.170   1.350  -0.151  1.00  0.00           C  
HETATM   26  O   UNL     1     -10.795   0.858   0.765  1.00  0.00           O  
HETATM   27  C   UNL     1     -10.775   2.467  -0.961  1.00  0.00           C  
HETATM   28  C   UNL     1     -12.172   2.787  -0.426  1.00  0.00           C  
HETATM   29  N   UNL     1      -8.935   0.897  -0.444  1.00  0.00           N  
HETATM   30  C   UNL     1      -6.549  -1.396   1.184  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.054  -0.291   0.515  1.00  0.00           C  
HETATM   32  N   UNL     1      -4.380  -0.750  -0.017  1.00  0.00           N  
HETATM   33  N   UNL     1      -2.635  -2.300  -0.135  1.00  0.00           N  
HETATM   34  C   UNL     1       0.388  -4.026  -1.319  1.00  0.00           C  
HETATM   35  N   UNL     1       1.324  -3.164  -0.973  1.00  0.00           N  
HETATM   36  N   UNL     1       6.448   0.886   0.598  1.00  0.00           N  
HETATM   37  C   UNL     1       7.728   0.580   0.307  1.00  0.00           C  
HETATM   38  O   UNL     1       7.989  -0.462  -0.262  1.00  0.00           O  
HETATM   39  O   UNL     1       8.717   1.427   0.647  1.00  0.00           O  
HETATM   40  C   UNL     1      10.071   1.033   0.302  1.00  0.00           C  
HETATM   41  C   UNL     1      -0.289  -1.699  -0.056  1.00  0.00           C  
HETATM   42 CL   UNL     1      -4.527   3.180  -0.424  1.00  0.00          Cl  
HETATM   43  H   UNL     1      -1.913   2.029  -0.720  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.701  -4.487  -1.345  1.00  0.00           H  
HETATM   45  H   UNL     1       3.868   1.506   0.178  1.00  0.00           H  
HETATM   46  H   UNL     1       4.029   0.687   1.750  1.00  0.00           H  
HETATM   47  H   UNL     1       5.531  -0.996   0.719  1.00  0.00           H  
HETATM   48  H   UNL     1       5.369  -0.177  -0.853  1.00  0.00           H  
HETATM   49  H   UNL     1      10.519   2.025   2.166  1.00  0.00           H  
HETATM   50  H   UNL     1      11.587   2.480   0.820  1.00  0.00           H  
HETATM   51  H   UNL     1      12.567   1.004   2.646  1.00  0.00           H  
HETATM   52  H   UNL     1      11.530  -0.280   2.036  1.00  0.00           H  
HETATM   53  H   UNL     1      13.493   1.113   0.262  1.00  0.00           H  
HETATM   54  H   UNL     1      13.971  -0.217   1.330  1.00  0.00           H  
HETATM   55  H   UNL     1      12.808  -1.835  -0.110  1.00  0.00           H  
HETATM   56  H   UNL     1      11.687  -0.946  -2.083  1.00  0.00           H  
HETATM   57  H   UNL     1      12.535   1.696  -0.687  1.00  0.00           H  
HETATM   58  H   UNL     1      12.139   1.532  -2.416  1.00  0.00           H  
HETATM   59  H   UNL     1      10.303   2.643  -1.139  1.00  0.00           H  
HETATM   60  H   UNL     1       9.778   1.094  -1.850  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.549   1.639  -0.009  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.003  -3.275   2.095  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.406  -3.144   1.591  1.00  0.00           H  
HETATM   64  H   UNL     1     -10.317  -1.191   0.404  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.145   3.353  -0.886  1.00  0.00           H  
HETATM   66  H   UNL     1     -10.848   2.161  -2.005  1.00  0.00           H  
HETATM   67  H   UNL     1     -12.100   3.093   0.618  1.00  0.00           H  
HETATM   68  H   UNL     1     -12.610   3.595  -1.012  1.00  0.00           H  
HETATM   69  H   UNL     1     -12.802   1.901  -0.502  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.404   1.342  -1.123  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.495  -1.455   1.409  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.244  -3.016   0.104  1.00  0.00           H  
HETATM   73  H   UNL     1       0.668  -4.944  -1.816  1.00  0.00           H  
HETATM   74  H   UNL     1       6.240   1.717   1.052  1.00  0.00           H  
HETATM   75  H   UNL     1      10.155  -0.054   0.322  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.526  -0.771   0.441  1.00  0.00           H  
CONECT    1   19   19    2   42                                       
CONECT    2    3    3    1   43                                       
CONECT    3    4    2    2                                            
CONECT    4   33   32   32    3                                       
CONECT    5    6    6   41   33                                       
CONECT    6   34    5    5   44                                       
CONECT    7   35    8   41   41                                       
CONECT    8    9    9    9    7                                       
CONECT    9   10    8    8    8                                       
CONECT   10    9   11   45   46                                       
CONECT   11   10   36   47   48                                       
CONECT   12   40   13   49   50                                       
CONECT   13   12   14   51   52                                       
CONECT   14   15   13   53   54                                       
CONECT   15   16   16   14   55                                       
CONECT   16   17   15   15   56                                       
CONECT   17   18   16   57   58                                       
CONECT   18   17   40   59   60                                       
CONECT   19   32   20    1    1                                       
CONECT   20   31   19   61                                            
CONECT   21   22   22   30   62                                       
CONECT   22   23   21   21   63                                       
CONECT   23   24   24   22   64                                       
CONECT   24   29   23   23   31                                       
CONECT   25   29   27   26   26                                       
CONECT   26   25   25                                                 
CONECT   27   28   25   65   66                                       
CONECT   28   27   67   68   69                                       
CONECT   29   24   25   70                                            
CONECT   30   31   31   21   71                                       
CONECT   31   24   20   30   30                                       
CONECT   32    4    4   19                                            
CONECT   33    5    4   72                                            
CONECT   34   35   35    6   73                                       
CONECT   35   34   34    7                                            
CONECT   36   37   11   74                                            
CONECT   37   38   38   36   39                                       
CONECT   38   37   37                                                 
CONECT   39   37   40                                                 
CONECT   40   18   39   12   75                                       
CONECT   41    7    7    5   76                                       
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    6                                                      
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   27                                                      
CONECT   66   27                                                      
CONECT   67   28                                                      
CONECT   68   28                                                      
CONECT   69   28                                                      
CONECT   70   29                                                      
CONECT   71   30                                                      
CONECT   72   33                                                      
CONECT   73   34                                                      
CONECT   74   36                                                      
CONECT   75   40                                                      
CONECT   76   41                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
