COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       7.720  -7.381   2.102  1.00  0.00           N  
HETATM    2  C   UNL     1       8.207  -6.287   2.657  1.00  0.00           C  
HETATM    3  N   UNL     1       7.993  -5.087   2.160  1.00  0.00           N  
HETATM    4  C   UNL     1       7.264  -4.929   1.060  1.00  0.00           C  
HETATM    5  C   UNL     1       6.723  -6.063   0.431  1.00  0.00           C  
HETATM    6  C   UNL     1       6.979  -7.323   1.000  1.00  0.00           C  
HETATM    7  N   UNL     1       6.473  -8.475   0.425  1.00  0.00           N  
HETATM    8  N   UNL     1       6.034  -5.629  -0.651  1.00  0.00           N  
HETATM    9  C   UNL     1       6.115  -4.333  -0.725  1.00  0.00           C  
HETATM   10  N   UNL     1       6.864  -3.853   0.308  1.00  0.00           N  
HETATM   11  C   UNL     1     -11.908  -1.500  -0.561  1.00  0.00           C  
HETATM   12  O   UNL     1     -11.385  -2.056   0.383  1.00  0.00           O  
HETATM   13  C   UNL     1       7.182  -2.447   0.569  1.00  0.00           C  
HETATM   14  C   UNL     1       8.518  -2.064  -0.106  1.00  0.00           C  
HETATM   15  C   UNL     1       8.288  -0.618  -0.599  1.00  0.00           C  
HETATM   16  C   UNL     1       6.841  -0.299  -0.164  1.00  0.00           C  
HETATM   17  C   UNL     1       6.140   0.550  -1.227  1.00  0.00           C  
HETATM   18  C   UNL     1     -13.160  -2.074  -1.174  1.00  0.00           C  
HETATM   19  O   UNL     1       9.588  -2.109   0.840  1.00  0.00           O  
HETATM   20  O   UNL     1       9.209   0.277   0.027  1.00  0.00           O  
HETATM   21  O   UNL     1       6.199  -1.587  -0.045  1.00  0.00           O  
HETATM   22  O   UNL     1       4.846   0.931  -0.755  1.00  0.00           O  
HETATM   23  C   UNL     1     -13.557  -3.348  -0.425  1.00  0.00           C  
HETATM   24  O   UNL     1     -13.911  -3.019   0.919  1.00  0.00           O  
HETATM   25  P   UNL     1       3.829   1.832  -1.618  1.00  0.00           P  
HETATM   26  O   UNL     1       2.530   2.174  -0.730  1.00  0.00           O  
HETATM   27  O   UNL     1       4.499   3.090  -2.016  1.00  0.00           O  
HETATM   28  O   UNL     1       3.381   1.023  -2.935  1.00  0.00           O  
HETATM   29  P   UNL     1       1.331   3.240  -0.867  1.00  0.00           P  
HETATM   30  O   UNL     1       1.871   4.531  -1.347  1.00  0.00           O  
HETATM   31  O   UNL     1       0.241   2.690  -1.917  1.00  0.00           O  
HETATM   32  O   UNL     1       0.633   3.450   0.569  1.00  0.00           O  
HETATM   33  P   UNL     1      10.243   1.192  -0.800  1.00  0.00           P  
HETATM   34  C   UNL     1     -14.752  -3.999  -1.124  1.00  0.00           C  
HETATM   35  O   UNL     1     -14.402  -5.694   0.474  1.00  0.00           O  
HETATM   36  O   UNL     1      11.209   1.972   0.225  1.00  0.00           O  
HETATM   37  O   UNL     1      11.058   0.335  -1.690  1.00  0.00           O  
HETATM   38  O   UNL     1       9.425   2.260  -1.685  1.00  0.00           O  
HETATM   39  C   UNL     1      -3.058   5.164   1.528  1.00  0.00           C  
HETATM   40  C   UNL     1      -1.938   5.380   2.513  1.00  0.00           C  
HETATM   41  C   UNL     1      -0.834   4.350   2.265  1.00  0.00           C  
HETATM   42  C   UNL     1      -0.397   4.412   0.800  1.00  0.00           C  
HETATM   43  C   UNL     1     -15.066  -5.315  -0.461  1.00  0.00           C  
HETATM   44  O   UNL     1     -16.084  -6.066  -0.909  1.00  0.00           O  
HETATM   45  O   UNL     1      -3.201   5.927   0.596  1.00  0.00           O  
HETATM   46  O   UNL     1      -1.406   6.696   2.348  1.00  0.00           O  
HETATM   47  C   UNL     1       0.362   4.657   3.168  1.00  0.00           C  
HETATM   48  C   UNL     1      -1.364   2.949   2.580  1.00  0.00           C  
HETATM   49  C   UNL     1      -5.837   2.718   1.177  1.00  0.00           C  
HETATM   50  C   UNL     1      -5.051   3.973   0.789  1.00  0.00           C  
HETATM   51  N   UNL     1      -3.899   4.122   1.682  1.00  0.00           N  
HETATM   52  C   UNL     1      -7.022   2.565   0.259  1.00  0.00           C  
HETATM   53  N   UNL     1      -7.863   1.523   0.413  1.00  0.00           N  
HETATM   54  O   UNL     1      -7.219   3.379  -0.619  1.00  0.00           O  
HETATM   55  C   UNL     1      -9.801   0.120  -0.093  1.00  0.00           C  
HETATM   56  C   UNL     1      -9.016   1.374  -0.480  1.00  0.00           C  
HETATM   57  S   UNL     1     -11.225  -0.065  -1.195  1.00  0.00           S  
HETATM   58  H   UNL     1       8.804  -6.379   3.553  1.00  0.00           H  
HETATM   59  H   UNL     1       6.657  -9.339   0.827  1.00  0.00           H  
HETATM   60  H   UNL     1       5.934  -8.420  -0.380  1.00  0.00           H  
HETATM   61  H   UNL     1       5.658  -3.726  -1.492  1.00  0.00           H  
HETATM   62  H   UNL     1       7.231  -2.263   1.642  1.00  0.00           H  
HETATM   63  H   UNL     1       8.725  -2.727  -0.947  1.00  0.00           H  
HETATM   64  H   UNL     1       8.381  -0.566  -1.684  1.00  0.00           H  
HETATM   65  H   UNL     1       6.839   0.217   0.796  1.00  0.00           H  
HETATM   66  H   UNL     1       6.732   1.443  -1.427  1.00  0.00           H  
HETATM   67  H   UNL     1       6.036  -0.030  -2.144  1.00  0.00           H  
HETATM   68  H   UNL     1     -13.967  -1.345  -1.103  1.00  0.00           H  
HETATM   69  H   UNL     1     -12.975  -2.311  -2.222  1.00  0.00           H  
HETATM   70  H   UNL     1       9.736  -2.984   1.225  1.00  0.00           H  
HETATM   71  H   UNL     1     -12.717  -4.043  -0.420  1.00  0.00           H  
HETATM   72  H   UNL     1     -14.653  -2.403   0.991  1.00  0.00           H  
HETATM   73  H   UNL     1       2.933   0.186  -2.750  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.155   1.845  -1.666  1.00  0.00           H  
HETATM   75  H   UNL     1     -15.618  -3.340  -1.051  1.00  0.00           H  
HETATM   76  H   UNL     1     -14.512  -4.168  -2.173  1.00  0.00           H  
HETATM   77  H   UNL     1      11.859   2.544  -0.205  1.00  0.00           H  
HETATM   78  H   UNL     1       8.868   2.857  -1.166  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.320   5.267   3.528  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.020   5.410   0.576  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.250   4.194   0.157  1.00  0.00           H  
HETATM   82  H   UNL     1     -16.247  -6.903  -0.452  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.048   6.868   1.467  1.00  0.00           H  
HETATM   84  H   UNL     1       0.032   4.704   4.206  1.00  0.00           H  
HETATM   85  H   UNL     1       1.110   3.871   3.061  1.00  0.00           H  
HETATM   86  H   UNL     1       0.797   5.614   2.882  1.00  0.00           H  
HETATM   87  H   UNL     1      -2.148   2.689   1.868  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.551   2.228   2.504  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.772   2.933   3.591  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.192   1.844   1.087  1.00  0.00           H  
HETATM   91  H   UNL     1      -6.184   2.810   2.206  1.00  0.00           H  
HETATM   92  H   UNL     1      -4.704   3.881  -0.240  1.00  0.00           H  
HETATM   93  H   UNL     1      -5.695   4.847   0.879  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.741   3.471   2.384  1.00  0.00           H  
HETATM   95  H   UNL     1      -9.157  -0.755  -0.182  1.00  0.00           H  
HETATM   96  H   UNL     1     -10.149   0.212   0.937  1.00  0.00           H  
HETATM   97  H   UNL     1      -9.660   2.249  -0.391  1.00  0.00           H  
HETATM   98  H   UNL     1      -8.668   1.282  -1.509  1.00  0.00           H  
HETATM   99  H   UNL     1      -7.706   0.873   1.115  1.00  0.00           H  
CONECT    1    2    2    6                                            
CONECT    2    1    1    3   58                                       
CONECT    3    2    4    4                                            
CONECT    4    3    3   10    5                                       
CONECT    5    4    8    6    6                                       
CONECT    6    1    5    5    7                                       
CONECT    7    6   59   60                                            
CONECT    8    5    9    9                                            
CONECT    9    8    8   10   61                                       
CONECT   10    4    9   13                                            
CONECT   11   12   12   57   18                                       
CONECT   12   11   11                                                 
CONECT   13   10   14   21   62                                       
CONECT   14   13   15   19   63                                       
CONECT   15   14   20   16   64                                       
CONECT   16   15   21   17   65                                       
CONECT   17   16   22   66   67                                       
CONECT   18   11   23   68   69                                       
CONECT   19   14   70                                                 
CONECT   20   15   33                                                 
CONECT   21   13   16                                                 
CONECT   22   17   25                                                 
CONECT   23   18   24   34   71                                       
CONECT   24   23   72                                                 
CONECT   25   22   26   27   27                                       
CONECT   25   28                                                      
CONECT   26   25   29                                                 
CONECT   27   25   25                                                 
CONECT   28   25   73                                                 
CONECT   29   26   30   30   31                                       
CONECT   29   32                                                      
CONECT   30   29   29                                                 
CONECT   31   29   74                                                 
CONECT   32   29   42                                                 
CONECT   33   20   37   37   38                                       
CONECT   33   36                                                      
CONECT   34   23   43   75   76                                       
CONECT   35   43   43                                                 
CONECT   36   33   77                                                 
CONECT   37   33   33                                                 
CONECT   38   33   78                                                 
CONECT   39   45   45   51   40                                       
CONECT   40   39   41   46   79                                       
CONECT   41   40   42   48   47                                       
CONECT   42   32   41   80   81                                       
CONECT   43   34   35   35   44                                       
CONECT   44   43   82                                                 
CONECT   45   39   39                                                 
CONECT   46   40   83                                                 
CONECT   47   41   84   85   86                                       
CONECT   48   41   87   88   89                                       
CONECT   49   50   52   90   91                                       
CONECT   50   49   51   92   93                                       
CONECT   51   39   50   94                                            
CONECT   52   49   54   54   53                                       
CONECT   53   52   56   99                                            
CONECT   54   52   52                                                 
CONECT   55   56   57   95   96                                       
CONECT   56   53   55   97   98                                       
CONECT   57   11   55                                                 
CONECT   58    2                                                      
CONECT   59    7                                                      
CONECT   60    7                                                      
CONECT   61    9                                                      
CONECT   62   13                                                      
CONECT   63   14                                                      
CONECT   64   15                                                      
CONECT   65   16                                                      
CONECT   66   17                                                      
CONECT   67   17                                                      
CONECT   68   18                                                      
CONECT   69   18                                                      
CONECT   70   19                                                      
CONECT   71   23                                                      
CONECT   72   24                                                      
CONECT   73   28                                                      
CONECT   74   31                                                      
CONECT   75   34                                                      
CONECT   76   34                                                      
CONECT   77   36                                                      
CONECT   78   38                                                      
CONECT   79   40                                                      
CONECT   80   42                                                      
CONECT   81   42                                                      
CONECT   82   44                                                      
CONECT   83   46                                                      
CONECT   84   47                                                      
CONECT   85   47                                                      
CONECT   86   47                                                      
CONECT   87   48                                                      
CONECT   88   48                                                      
CONECT   89   48                                                      
CONECT   90   49                                                      
CONECT   91   49                                                      
CONECT   92   50                                                      
CONECT   93   50                                                      
CONECT   94   51                                                      
CONECT   95   55                                                      
CONECT   96   55                                                      
CONECT   97   56                                                      
CONECT   98   56                                                      
CONECT   99   53                                                      
MASTER        0    0    0    0    0    0    0    0   99    0   99    0
END
