COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      26.769 -27.378 -46.420  1.00  0.00           C  
HETATM    2  C   UNL     1      27.126 -28.636 -45.820  1.00  0.00           C  
HETATM    3  C   UNL     1      26.680 -29.011 -44.514  1.00  0.00           C  
HETATM    4  O   UNL     1      27.055 -30.248 -43.970  1.00  0.00           O  
HETATM    5  C   UNL     1      26.033 -31.227 -43.783  1.00  0.00           C  
HETATM    6  C   UNL     1      25.864 -28.078 -43.786  1.00  0.00           C  
HETATM    7  C   UNL     1      25.483 -26.812 -44.326  1.00  0.00           C  
HETATM    8  C   UNL     1      25.971 -26.517 -45.640  1.00  0.00           C  
HETATM    9  C   UNL     1      23.167 -25.719 -44.050  1.00  0.00           C  
HETATM   10  C   UNL     1      31.257 -18.913 -48.572  1.00  0.00           C  
HETATM   11  O   UNL     1      31.268 -20.288 -49.006  1.00  0.00           O  
HETATM   12  C   UNL     1      30.764 -21.215 -48.058  1.00  0.00           C  
HETATM   13  C   UNL     1      30.076 -22.530 -48.641  1.00  0.00           C  
HETATM   14  C   UNL     1      29.382 -23.508 -47.890  1.00  0.00           C  
HETATM   15  C   UNL     1      28.544 -24.676 -48.400  1.00  0.00           C  
HETATM   16  C   UNL     1      28.608 -26.000 -47.922  1.00  0.00           C  
HETATM   17  C   UNL     1      29.797 -26.456 -47.052  1.00  0.00           C  
HETATM   18  C   UNL     1      27.240 -26.848 -47.876  1.00  0.00           C  
HETATM   19 CL   UNL     1      25.269 -28.488 -42.124  1.00  0.00          Cl  
HETATM   20  N   UNL     1      24.633 -25.725 -43.681  1.00  0.00           N  
HETATM   21  C   UNL     1      25.091 -24.655 -42.796  1.00  0.00           C  
HETATM   22  O   UNL     1      24.234 -23.849 -42.382  1.00  0.00           O  
HETATM   23  C   UNL     1      26.541 -24.429 -42.254  1.00  0.00           C  
HETATM   24  C   UNL     1      27.473 -23.102 -42.458  1.00  0.00           C  
HETATM   25  O   UNL     1      27.098 -22.273 -43.575  1.00  0.00           O  
HETATM   26  C   UNL     1      26.829 -22.809 -44.783  1.00  0.00           C  
HETATM   27  O   UNL     1      27.349 -23.934 -44.997  1.00  0.00           O  
HETATM   28  C   UNL     1      26.654 -21.889 -46.054  1.00  0.00           C  
HETATM   29  C   UNL     1      27.579 -20.700 -45.864  1.00  0.00           C  
HETATM   30  N   UNL     1      25.242 -21.416 -46.369  1.00  0.00           N  
HETATM   31  C   UNL     1      24.831 -20.068 -45.856  1.00  0.00           C  
HETATM   32  C   UNL     1      24.266 -22.143 -47.132  1.00  0.00           C  
HETATM   33  O   UNL     1      23.167 -21.564 -47.275  1.00  0.00           O  
HETATM   34  C   UNL     1      24.428 -23.573 -47.781  1.00  0.00           C  
HETATM   35  C   UNL     1      23.571 -24.060 -49.028  1.00  0.00           C  
HETATM   36  C   UNL     1      22.097 -23.742 -48.840  1.00  0.00           C  
HETATM   37  C   UNL     1      24.062 -23.456 -50.332  1.00  0.00           C  
HETATM   38  S   UNL     1      23.750 -25.924 -49.173  1.00  0.00           S  
HETATM   39  S   UNL     1      22.036 -26.936 -48.515  1.00  0.00           S  
HETATM   40  C   UNL     1      22.488 -28.467 -47.651  1.00  0.00           C  
HETATM   41  C   UNL     1      29.013 -23.399 -42.340  1.00  0.00           C  
HETATM   42  C   UNL     1      29.501 -24.395 -41.448  1.00  0.00           C  
HETATM   43  O   UNL     1      29.670 -23.463 -43.667  1.00  0.00           O  
HETATM   44  C   UNL     1      30.213 -22.408 -42.756  1.00  0.00           C  
HETATM   45  C   UNL     1      30.089 -20.997 -43.127  1.00  0.00           C  
HETATM   46  C   UNL     1      30.625 -20.117 -41.972  1.00  0.00           C  
HETATM   47  C   UNL     1      30.907 -20.685 -44.516  1.00  0.00           C  
HETATM   48  C   UNL     1      31.202 -21.894 -45.436  1.00  0.00           C  
HETATM   49  C   UNL     1      31.856 -21.562 -46.827  1.00  0.00           C  
HETATM   50  O   UNL     1      32.423 -22.771 -47.242  1.00  0.00           O  
HETATM   51  N   UNL     1      32.858 -20.432 -46.535  1.00  0.00           N  
HETATM   52  C   UNL     1      32.890 -19.775 -45.276  1.00  0.00           C  
HETATM   53  O   UNL     1      33.675 -18.805 -45.071  1.00  0.00           O  
HETATM   54  O   UNL     1      32.148 -20.098 -44.253  1.00  0.00           O  
HETATM   55  H   UNL     1      27.752 -29.320 -46.374  1.00  0.00           H  
HETATM   56  H   UNL     1      26.472 -32.139 -43.352  1.00  0.00           H  
HETATM   57  H   UNL     1      25.267 -30.831 -43.100  1.00  0.00           H  
HETATM   58  H   UNL     1      25.572 -31.465 -44.753  1.00  0.00           H  
HETATM   59  H   UNL     1      25.707 -25.560 -46.066  1.00  0.00           H  
HETATM   60  H   UNL     1      22.660 -24.895 -43.526  1.00  0.00           H  
HETATM   61  H   UNL     1      23.063 -25.582 -45.136  1.00  0.00           H  
HETATM   62  H   UNL     1      22.711 -26.676 -43.756  1.00  0.00           H  
HETATM   63  H   UNL     1      31.664 -18.273 -49.369  1.00  0.00           H  
HETATM   64  H   UNL     1      30.224 -18.608 -48.348  1.00  0.00           H  
HETATM   65  H   UNL     1      31.875 -18.809 -47.668  1.00  0.00           H  
HETATM   66  H   UNL     1      29.948 -20.696 -47.534  1.00  0.00           H  
HETATM   67  H   UNL     1      30.146 -22.689 -49.707  1.00  0.00           H  
HETATM   68  H   UNL     1      29.455 -23.416 -46.817  1.00  0.00           H  
HETATM   69  H   UNL     1      27.842 -24.471 -49.195  1.00  0.00           H  
HETATM   70  H   UNL     1      29.668 -27.514 -46.779  1.00  0.00           H  
HETATM   71  H   UNL     1      30.733 -26.335 -47.618  1.00  0.00           H  
HETATM   72  H   UNL     1      29.839 -25.844 -46.139  1.00  0.00           H  
HETATM   73  H   UNL     1      26.438 -26.210 -48.276  1.00  0.00           H  
HETATM   74  H   UNL     1      27.369 -27.726 -48.526  1.00  0.00           H  
HETATM   75  H   UNL     1      26.458 -24.552 -41.164  1.00  0.00           H  
HETATM   76  H   UNL     1      27.132 -25.257 -42.673  1.00  0.00           H  
HETATM   77  H   UNL     1      27.252 -22.498 -41.565  1.00  0.00           H  
HETATM   78  H   UNL     1      27.017 -22.462 -46.920  1.00  0.00           H  
HETATM   79  H   UNL     1      28.594 -21.057 -45.637  1.00  0.00           H  
HETATM   80  H   UNL     1      27.599 -20.100 -46.786  1.00  0.00           H  
HETATM   81  H   UNL     1      27.214 -20.081 -45.031  1.00  0.00           H  
HETATM   82  H   UNL     1      25.663 -19.620 -45.292  1.00  0.00           H  
HETATM   83  H   UNL     1      24.570 -19.417 -46.704  1.00  0.00           H  
HETATM   84  H   UNL     1      23.958 -20.178 -45.196  1.00  0.00           H  
HETATM   85  H   UNL     1      24.229 -24.295 -46.976  1.00  0.00           H  
HETATM   86  H   UNL     1      25.481 -23.648 -48.089  1.00  0.00           H  
HETATM   87  H   UNL     1      21.744 -24.181 -47.895  1.00  0.00           H  
HETATM   88  H   UNL     1      21.958 -22.651 -48.812  1.00  0.00           H  
HETATM   89  H   UNL     1      21.521 -24.164 -49.677  1.00  0.00           H  
HETATM   90  H   UNL     1      23.973 -22.361 -50.286  1.00  0.00           H  
HETATM   91  H   UNL     1      25.115 -23.732 -50.490  1.00  0.00           H  
HETATM   92  H   UNL     1      23.454 -23.839 -51.165  1.00  0.00           H  
HETATM   93  H   UNL     1      21.576 -28.982 -47.315  1.00  0.00           H  
HETATM   94  H   UNL     1      23.048 -29.122 -48.335  1.00  0.00           H  
HETATM   95  H   UNL     1      23.115 -28.225 -46.780  1.00  0.00           H  
HETATM   96  H   UNL     1      28.985 -24.306 -40.481  1.00  0.00           H  
HETATM   97  H   UNL     1      29.314 -25.392 -41.874  1.00  0.00           H  
HETATM   98  H   UNL     1      30.582 -24.257 -41.300  1.00  0.00           H  
HETATM   99  H   UNL     1      31.164 -22.676 -42.272  1.00  0.00           H  
HETATM  100  H   UNL     1      29.032 -20.748 -43.300  1.00  0.00           H  
HETATM  101  H   UNL     1      30.066 -20.339 -41.051  1.00  0.00           H  
HETATM  102  H   UNL     1      31.692 -20.330 -41.813  1.00  0.00           H  
HETATM  103  H   UNL     1      30.498 -19.055 -42.231  1.00  0.00           H  
HETATM  104  H   UNL     1      30.286 -19.981 -45.089  1.00  0.00           H  
HETATM  105  H   UNL     1      30.250 -22.411 -45.627  1.00  0.00           H  
HETATM  106  H   UNL     1      31.883 -22.568 -44.897  1.00  0.00           H  
HETATM  107  H   UNL     1      33.065 -23.056 -46.602  1.00  0.00           H  
HETATM  108  H   UNL     1      33.502 -20.153 -47.248  1.00  0.00           H  
CONECT    1   18    2    2    8                                       
CONECT    2    1    1    3   55                                       
CONECT    3    2    4    6    6                                       
CONECT    4    3    5                                                 
CONECT    5    4   56   57   58                                       
CONECT    6    3    3    7   19                                       
CONECT    7    8    8    6   20                                       
CONECT    8    1    7    7   59                                       
CONECT    9   20   60   61   62                                       
CONECT   10   11   63   64   65                                       
CONECT   11   10   12                                                 
CONECT   12   11   13   49   66                                       
CONECT   13   12   14   14   67                                       
CONECT   14   13   13   15   68                                       
CONECT   15   16   16   14   69                                       
CONECT   16   15   15   18   17                                       
CONECT   17   16   70   71   72                                       
CONECT   18   16    1   73   74                                       
CONECT   19    6                                                      
CONECT   20    7    9   21                                            
CONECT   21   20   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   24   75   76                                       
CONECT   24   25   41   23   77                                       
CONECT   25   26   24                                                 
CONECT   26   28   27   27   25                                       
CONECT   27   26   26                                                 
CONECT   28   30   29   26   78                                       
CONECT   29   28   79   80   81                                       
CONECT   30   32   28   31                                            
CONECT   31   30   82   83   84                                       
CONECT   32   34   33   33   30                                       
CONECT   33   32   32                                                 
CONECT   34   35   32   85   86                                       
CONECT   35   37   38   36   34                                       
CONECT   36   35   87   88   89                                       
CONECT   37   35   90   91   92                                       
CONECT   38   35   39                                                 
CONECT   39   38   40                                                 
CONECT   40   39   93   94   95                                       
CONECT   41   43   44   24   42                                       
CONECT   42   41   96   97   98                                       
CONECT   43   44   41                                                 
CONECT   44   43   45   41   99                                       
CONECT   45   47   44   46  100                                       
CONECT   46   45  101  102  103                                       
CONECT   47   48   54   45  104                                       
CONECT   48   49   47  105  106                                       
CONECT   49   12   50   51   48                                       
CONECT   50   49  107                                                 
CONECT   51   49   52  108                                            
CONECT   52   51   53   53   54                                       
CONECT   53   52   52                                                 
CONECT   54   52   47                                                 
CONECT   55    2                                                      
CONECT   56    5                                                      
CONECT   57    5                                                      
CONECT   58    5                                                      
CONECT   59    8                                                      
CONECT   60    9                                                      
CONECT   61    9                                                      
CONECT   62    9                                                      
CONECT   63   10                                                      
CONECT   64   10                                                      
CONECT   65   10                                                      
CONECT   66   12                                                      
CONECT   67   13                                                      
CONECT   68   14                                                      
CONECT   69   15                                                      
CONECT   70   17                                                      
CONECT   71   17                                                      
CONECT   72   17                                                      
CONECT   73   18                                                      
CONECT   74   18                                                      
CONECT   75   23                                                      
CONECT   76   23                                                      
CONECT   77   24                                                      
CONECT   78   28                                                      
CONECT   79   29                                                      
CONECT   80   29                                                      
CONECT   81   29                                                      
CONECT   82   31                                                      
CONECT   83   31                                                      
CONECT   84   31                                                      
CONECT   85   34                                                      
CONECT   86   34                                                      
CONECT   87   36                                                      
CONECT   88   36                                                      
CONECT   89   36                                                      
CONECT   90   37                                                      
CONECT   91   37                                                      
CONECT   92   37                                                      
CONECT   93   40                                                      
CONECT   94   40                                                      
CONECT   95   40                                                      
CONECT   96   42                                                      
CONECT   97   42                                                      
CONECT   98   42                                                      
CONECT   99   44                                                      
CONECT  100   45                                                      
CONECT  101   46                                                      
CONECT  102   46                                                      
CONECT  103   46                                                      
CONECT  104   47                                                      
CONECT  105   48                                                      
CONECT  106   48                                                      
CONECT  107   50                                                      
CONECT  108   51                                                      
MASTER        0    0    0    0    0    0    0    0  108    0  108    0
END
