COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -7.508   4.638 -10.371  1.00  0.00           O  
HETATM    2  C   UNL     1     -13.784  11.881 -13.036  1.00  0.00           C  
HETATM    3  C   UNL     1     -12.781  12.658 -12.457  1.00  0.00           C  
HETATM    4  C   UNL     1     -13.110  13.837 -11.789  1.00  0.00           C  
HETATM    5  C   UNL     1     -14.442  14.240 -11.700  1.00  0.00           C  
HETATM    6  C   UNL     1     -15.446  13.463 -12.279  1.00  0.00           C  
HETATM    7  C   UNL     1     -15.101  12.296 -12.938  1.00  0.00           C  
HETATM    8  C   UNL     1     -15.929   2.915 -10.201  1.00  0.00           C  
HETATM    9  C   UNL     1     -16.851   9.043 -13.367  1.00  0.00           C  
HETATM   10  C   UNL     1     -13.424   5.629 -14.344  1.00  0.00           C  
HETATM   11  C   UNL     1     -17.146   6.711 -12.615  1.00  0.00           C  
HETATM   12  C   UNL     1     -14.728   6.008 -13.740  1.00  0.00           C  
HETATM   13  C   UNL     1      -9.571   6.996 -12.260  1.00  0.00           C  
HETATM   14  C   UNL     1     -11.780   6.138 -16.131  1.00  0.00           C  
HETATM   15  C   UNL     1     -10.791   7.316 -15.980  1.00  0.00           C  
HETATM   16  C   UNL     1     -12.056   5.798 -17.607  1.00  0.00           C  
HETATM   17  C   UNL     1     -13.023   4.614 -17.831  1.00  0.00           C  
HETATM   18  C   UNL     1     -12.470   3.361 -17.144  1.00  0.00           C  
HETATM   19  C   UNL     1     -16.190  11.453 -13.566  1.00  0.00           C  
HETATM   20  C   UNL     1     -16.474  11.847 -15.014  1.00  0.00           C  
HETATM   21  N   UNL     1     -15.879  10.044 -13.486  1.00  0.00           N  
HETATM   22  O   UNL     1     -18.068   9.296 -13.320  1.00  0.00           O  
HETATM   23  C   UNL     1     -16.377   7.671 -13.273  1.00  0.00           C  
HETATM   24  C   UNL     1     -16.692   5.396 -12.525  1.00  0.00           C  
HETATM   25  C   UNL     1     -15.469   5.040 -13.094  1.00  0.00           C  
HETATM   26  C   UNL     1     -15.154   7.315 -13.842  1.00  0.00           C  
HETATM   27  N   UNL     1     -17.478   4.413 -11.851  1.00  0.00           N  
HETATM   28  C   UNL     1     -17.929   3.232 -12.641  1.00  0.00           C  
HETATM   29  S   UNL     1     -17.183   4.179 -10.166  1.00  0.00           S  
HETATM   30  O   UNL     1     -18.356   3.589  -9.547  1.00  0.00           O  
HETATM   31  O   UNL     1     -16.582   5.371  -9.598  1.00  0.00           O  
HETATM   32  O   UNL     1     -12.807   4.671 -13.887  1.00  0.00           O  
HETATM   33  N   UNL     1     -13.013   6.398 -15.421  1.00  0.00           N  
HETATM   34  C   UNL     1     -14.432   4.901 -17.311  1.00  0.00           C  
HETATM   35  C   UNL     1     -10.477   7.722 -14.528  1.00  0.00           C  
HETATM   36  C   UNL     1      -9.798   6.598 -13.719  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.444   6.247 -14.342  1.00  0.00           C  
HETATM   38  O   UNL     1     -11.329   8.440 -16.682  1.00  0.00           O  
HETATM   39  O   UNL     1      -9.396   8.161 -11.908  1.00  0.00           O  
HETATM   40  N   UNL     1      -9.617   5.906 -11.403  1.00  0.00           N  
HETATM   41  C   UNL     1      -9.460   6.022  -9.971  1.00  0.00           C  
HETATM   42  C   UNL     1     -10.687   5.511  -9.185  1.00  0.00           C  
HETATM   43  C   UNL     1     -11.981   6.251  -9.542  1.00  0.00           C  
HETATM   44  C   UNL     1     -10.878   4.004  -9.382  1.00  0.00           C  
HETATM   45  C   UNL     1      -8.177   5.294  -9.575  1.00  0.00           C  
HETATM   46  N   UNL     1      -7.850   5.497  -8.242  1.00  0.00           N  
HETATM   47  C   UNL     1      -6.661   4.948  -7.631  1.00  0.00           C  
HETATM   48  C   UNL     1      -6.940   4.669  -6.161  1.00  0.00           C  
HETATM   49  C   UNL     1      -5.515   5.933  -7.810  1.00  0.00           C  
HETATM   50  H   UNL     1     -13.518  10.963 -13.554  1.00  0.00           H  
HETATM   51  H   UNL     1     -11.743  12.344 -12.526  1.00  0.00           H  
HETATM   52  H   UNL     1     -12.328  14.442 -11.338  1.00  0.00           H  
HETATM   53  H   UNL     1     -14.698  15.158 -11.180  1.00  0.00           H  
HETATM   54  H   UNL     1     -16.481  13.785 -12.204  1.00  0.00           H  
HETATM   55  H   UNL     1     -16.393   1.963  -9.941  1.00  0.00           H  
HETATM   56  H   UNL     1     -15.509   2.875 -11.207  1.00  0.00           H  
HETATM   57  H   UNL     1     -15.157   3.176  -9.475  1.00  0.00           H  
HETATM   58  H   UNL     1     -18.100   6.988 -12.172  1.00  0.00           H  
HETATM   59  H   UNL     1     -11.335   5.272 -15.629  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.862   7.052 -16.498  1.00  0.00           H  
HETATM   61  H   UNL     1     -12.478   6.677 -18.108  1.00  0.00           H  
HETATM   62  H   UNL     1     -11.104   5.578 -18.107  1.00  0.00           H  
HETATM   63  H   UNL     1     -13.089   4.400 -18.904  1.00  0.00           H  
HETATM   64  H   UNL     1     -12.387   3.505 -16.062  1.00  0.00           H  
HETATM   65  H   UNL     1     -13.121   2.499 -17.323  1.00  0.00           H  
HETATM   66  H   UNL     1     -11.476   3.112 -17.531  1.00  0.00           H  
HETATM   67  H   UNL     1     -17.118  11.581 -12.995  1.00  0.00           H  
HETATM   68  H   UNL     1     -16.237  11.026 -15.700  1.00  0.00           H  
HETATM   69  H   UNL     1     -17.533  12.101 -15.142  1.00  0.00           H  
HETATM   70  H   UNL     1     -15.894  12.724 -15.322  1.00  0.00           H  
HETATM   71  H   UNL     1     -14.898   9.788 -13.456  1.00  0.00           H  
HETATM   72  H   UNL     1     -15.115   4.013 -13.023  1.00  0.00           H  
HETATM   73  H   UNL     1     -14.555   8.064 -14.356  1.00  0.00           H  
HETATM   74  H   UNL     1     -17.302   2.366 -12.412  1.00  0.00           H  
HETATM   75  H   UNL     1     -17.859   3.444 -13.711  1.00  0.00           H  
HETATM   76  H   UNL     1     -18.967   2.989 -12.398  1.00  0.00           H  
HETATM   77  H   UNL     1     -13.607   7.136 -15.783  1.00  0.00           H  
HETATM   78  H   UNL     1     -14.415   5.196 -16.257  1.00  0.00           H  
HETATM   79  H   UNL     1     -15.068   4.014 -17.403  1.00  0.00           H  
HETATM   80  H   UNL     1     -14.914   5.701 -17.882  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.845   8.617 -14.512  1.00  0.00           H  
HETATM   82  H   UNL     1     -11.416   7.980 -14.021  1.00  0.00           H  
HETATM   83  H   UNL     1     -10.429   5.701 -13.745  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.630   6.383 -13.621  1.00  0.00           H  
HETATM   85  H   UNL     1      -8.428   5.207 -14.684  1.00  0.00           H  
HETATM   86  H   UNL     1      -8.227   6.885 -15.206  1.00  0.00           H  
HETATM   87  H   UNL     1     -11.359   9.168 -16.045  1.00  0.00           H  
HETATM   88  H   UNL     1      -9.788   4.980 -11.783  1.00  0.00           H  
HETATM   89  H   UNL     1      -9.312   7.090  -9.769  1.00  0.00           H  
HETATM   90  H   UNL     1     -10.505   5.676  -8.115  1.00  0.00           H  
HETATM   91  H   UNL     1     -11.886   7.326  -9.361  1.00  0.00           H  
HETATM   92  H   UNL     1     -12.256   6.103 -10.591  1.00  0.00           H  
HETATM   93  H   UNL     1     -12.811   5.888  -8.927  1.00  0.00           H  
HETATM   94  H   UNL     1      -9.972   3.457  -9.101  1.00  0.00           H  
HETATM   95  H   UNL     1     -11.697   3.634  -8.755  1.00  0.00           H  
HETATM   96  H   UNL     1     -11.117   3.760 -10.422  1.00  0.00           H  
HETATM   97  H   UNL     1      -8.451   6.076  -7.664  1.00  0.00           H  
HETATM   98  H   UNL     1      -6.420   4.010  -8.143  1.00  0.00           H  
HETATM   99  H   UNL     1      -6.061   4.236  -5.673  1.00  0.00           H  
HETATM  100  H   UNL     1      -7.211   5.585  -5.625  1.00  0.00           H  
HETATM  101  H   UNL     1      -7.771   3.965  -6.050  1.00  0.00           H  
HETATM  102  H   UNL     1      -5.334   6.128  -8.873  1.00  0.00           H  
HETATM  103  H   UNL     1      -4.591   5.539  -7.376  1.00  0.00           H  
HETATM  104  H   UNL     1      -5.734   6.894  -7.332  1.00  0.00           H  
CONECT    1   45   45                                                 
CONECT    2    7    7    3   50                                       
CONECT    3    2    4    4   51                                       
CONECT    4    3    3    5   52                                       
CONECT    5    4    6    6   53                                       
CONECT    6    5    5    7   54                                       
CONECT    7    2    2    6   19                                       
CONECT    8   29   55   56   57                                       
CONECT    9   23   22   22   21                                       
CONECT   10   32   32   12   33                                       
CONECT   11   24   23   23   58                                       
CONECT   12   10   25   26   26                                       
CONECT   13   39   39   36   40                                       
CONECT   14   33   15   16   59                                       
CONECT   15   14   35   38   60                                       
CONECT   16   14   17   61   62                                       
CONECT   17   16   34   18   63                                       
CONECT   18   17   64   65   66                                       
CONECT   19    7   21   20   67                                       
CONECT   20   19   68   69   70                                       
CONECT   21    9   19   71                                            
CONECT   22    9    9                                                 
CONECT   23    9   11   11   26                                       
CONECT   24   11   27   25   25                                       
CONECT   25   12   24   24   72                                       
CONECT   26   12   12   23   73                                       
CONECT   27   24   28   29                                            
CONECT   28   27   74   75   76                                       
CONECT   29    8   27   30   30                                       
CONECT   29   31   31                                                 
CONECT   30   29   29                                                 
CONECT   31   29   29                                                 
CONECT   32   10   10                                                 
CONECT   33   10   14   77                                            
CONECT   34   17   78   79   80                                       
CONECT   35   15   36   81   82                                       
CONECT   36   13   35   37   83                                       
CONECT   37   36   84   85   86                                       
CONECT   38   15   87                                                 
CONECT   39   13   13                                                 
CONECT   40   13   41   88                                            
CONECT   41   40   45   42   89                                       
CONECT   42   41   43   44   90                                       
CONECT   43   42   91   92   93                                       
CONECT   44   42   94   95   96                                       
CONECT   45    1    1   41   46                                       
CONECT   46   45   47   97                                            
CONECT   47   46   49   48   98                                       
CONECT   48   47   99  100  101                                       
CONECT   49   47  102  103  104                                       
CONECT   50    2                                                      
CONECT   51    3                                                      
CONECT   52    4                                                      
CONECT   53    5                                                      
CONECT   54    6                                                      
CONECT   55    8                                                      
CONECT   56    8                                                      
CONECT   57    8                                                      
CONECT   58   11                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   16                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   18                                                      
CONECT   66   18                                                      
CONECT   67   19                                                      
CONECT   68   20                                                      
CONECT   69   20                                                      
CONECT   70   20                                                      
CONECT   71   21                                                      
CONECT   72   25                                                      
CONECT   73   26                                                      
CONECT   74   28                                                      
CONECT   75   28                                                      
CONECT   76   28                                                      
CONECT   77   33                                                      
CONECT   78   34                                                      
CONECT   79   34                                                      
CONECT   80   34                                                      
CONECT   81   35                                                      
CONECT   82   35                                                      
CONECT   83   36                                                      
CONECT   84   37                                                      
CONECT   85   37                                                      
CONECT   86   37                                                      
CONECT   87   38                                                      
CONECT   88   40                                                      
CONECT   89   41                                                      
CONECT   90   42                                                      
CONECT   91   43                                                      
CONECT   92   43                                                      
CONECT   93   43                                                      
CONECT   94   44                                                      
CONECT   95   44                                                      
CONECT   96   44                                                      
CONECT   97   46                                                      
CONECT   98   47                                                      
CONECT   99   48                                                      
CONECT  100   48                                                      
CONECT  101   48                                                      
CONECT  102   49                                                      
CONECT  103   49                                                      
CONECT  104   49                                                      
MASTER        0    0    0    0    0    0    0    0  104    0  104    0
END
