COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.444   1.047   1.420  1.00  0.00           C  
HETATM    2  C   UNL     1       0.221   1.299   0.536  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.456  -1.042   0.524  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.118  -3.329   0.687  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.647  -3.432   0.875  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.099  -5.347  -0.285  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.834  -5.517  -2.262  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.956   1.741   1.408  1.00  0.00           C  
HETATM    9  C   UNL     1       7.908   1.220  -1.675  1.00  0.00           C  
HETATM   10  C   UNL     1       6.760   1.980  -1.794  1.00  0.00           C  
HETATM   11  C   UNL     1       5.850   2.026  -0.754  1.00  0.00           C  
HETATM   12  C   UNL     1       6.089   1.312   0.405  1.00  0.00           C  
HETATM   13  C   UNL     1       7.239   0.552   0.525  1.00  0.00           C  
HETATM   14  C   UNL     1       8.148   0.506  -0.516  1.00  0.00           C  
HETATM   15  C   UNL     1       3.851  -1.098   1.972  1.00  0.00           C  
HETATM   16  C   UNL     1       2.621   0.605   0.549  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.740  -4.633  -0.042  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.286  -4.293  -1.484  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.123   2.107   0.527  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.264   3.405   0.072  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.333   3.743  -0.735  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.266   2.779  -1.089  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.122   1.477  -0.631  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.048   1.143   0.171  1.00  0.00           C  
HETATM   25  C   UNL     1       4.026  -4.551   0.282  1.00  0.00           C  
HETATM   26  C   UNL     1       4.018  -2.117   0.842  1.00  0.00           C  
HETATM   27  C   UNL     1       3.984  -3.532   1.422  1.00  0.00           C  
HETATM   28  C   UNL     1       5.358  -1.885   0.141  1.00  0.00           C  
HETATM   29  C   UNL     1       8.896   1.164  -2.811  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.239   2.065  -2.206  1.00  0.00           C  
HETATM   31  C   UNL     1      -9.351   0.094  -0.230  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.874   0.990   1.783  1.00  0.00           C  
HETATM   33  C   UNL     1     -10.152  -1.032  -0.886  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.730   0.569   2.708  1.00  0.00           C  
HETATM   35  C   UNL     1       9.855   2.353  -2.712  1.00  0.00           C  
HETATM   36  N   UNL     1       3.756   0.249   1.405  1.00  0.00           N  
HETATM   37  N   UNL     1      -0.132   0.066  -0.172  1.00  0.00           N  
HETATM   38  O   UNL     1       5.617   0.907   2.885  1.00  0.00           O  
HETATM   39  O   UNL     1       4.302   2.642   1.659  1.00  0.00           O  
HETATM   40  O   UNL     1       1.788   2.250   2.111  1.00  0.00           O  
HETATM   41  O   UNL     1      -0.455  -1.018   1.739  1.00  0.00           O  
HETATM   42  O   UNL     1      -0.780  -2.175  -0.127  1.00  0.00           O  
HETATM   43  O   UNL     1      -3.091  -4.303  -0.185  1.00  0.00           O  
HETATM   44  O   UNL     1      -2.078  -5.849  -1.627  1.00  0.00           O  
HETATM   45  O   UNL     1      -5.319   3.109  -1.882  1.00  0.00           O  
HETATM   46  O   UNL     1      -8.324   0.531  -1.122  1.00  0.00           O  
HETATM   47  O   UNL     1      -6.360   1.242   0.474  1.00  0.00           O  
HETATM   48  O   UNL     1      -8.037   2.926  -0.378  1.00  0.00           O  
HETATM   49  O   UNL     1       8.196   1.221  -4.055  1.00  0.00           O  
HETATM   50  P   UNL     1      -7.287   1.707  -0.757  1.00  0.00           P  
HETATM   51  S   UNL     1       4.930   1.370   1.731  1.00  0.00           S  
HETATM   52  H   UNL     1       1.214   0.265   2.144  1.00  0.00           H  
HETATM   53  H   UNL     1       0.451   2.081  -0.188  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.617  -3.273   1.653  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.882  -3.867   1.847  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.109  -2.449   0.777  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.274  -6.142   0.441  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.997  -5.278  -3.312  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.128  -6.342  -2.166  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.243   0.926   2.071  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.663   2.607   2.001  1.00  0.00           H  
HETATM   62  H   UNL     1       6.573   2.537  -2.700  1.00  0.00           H  
HETATM   63  H   UNL     1       4.953   2.620  -0.847  1.00  0.00           H  
HETATM   64  H   UNL     1       7.426  -0.005   1.431  1.00  0.00           H  
HETATM   65  H   UNL     1       9.045  -0.087  -0.422  1.00  0.00           H  
HETATM   66  H   UNL     1       2.943  -1.322   2.532  1.00  0.00           H  
HETATM   67  H   UNL     1       4.712  -1.151   2.639  1.00  0.00           H  
HETATM   68  H   UNL     1       2.329  -0.261  -0.045  1.00  0.00           H  
HETATM   69  H   UNL     1       2.908   1.420  -0.115  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.025  -5.240   0.512  1.00  0.00           H  
HETATM   71  H   UNL     1       0.800  -4.240  -1.552  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.746  -3.368  -1.833  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.538   4.155   0.348  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.444   4.757  -1.089  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.846   0.725  -0.905  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.933   0.128   0.524  1.00  0.00           H  
HETATM   77  H   UNL     1       4.942  -4.416  -0.292  1.00  0.00           H  
HETATM   78  H   UNL     1       4.002  -5.560   0.696  1.00  0.00           H  
HETATM   79  H   UNL     1       3.164  -4.405  -0.368  1.00  0.00           H  
HETATM   80  H   UNL     1       3.207  -1.999   0.124  1.00  0.00           H  
HETATM   81  H   UNL     1       3.068  -3.667   1.997  1.00  0.00           H  
HETATM   82  H   UNL     1       4.846  -3.679   2.073  1.00  0.00           H  
HETATM   83  H   UNL     1       5.348  -0.912  -0.351  1.00  0.00           H  
HETATM   84  H   UNL     1       6.163  -1.912   0.876  1.00  0.00           H  
HETATM   85  H   UNL     1       5.519  -2.666  -0.602  1.00  0.00           H  
HETATM   86  H   UNL     1       9.463   0.235  -2.755  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.867   2.380  -3.039  1.00  0.00           H  
HETATM   88  H   UNL     1      -5.687   1.168  -2.485  1.00  0.00           H  
HETATM   89  H   UNL     1     -10.015   0.928  -0.003  1.00  0.00           H  
HETATM   90  H   UNL     1      -8.899  -0.272   0.692  1.00  0.00           H  
HETATM   91  H   UNL     1      -7.615   0.193   1.735  1.00  0.00           H  
HETATM   92  H   UNL     1      -7.339   1.896   2.171  1.00  0.00           H  
HETATM   93  H   UNL     1     -10.935  -1.366  -0.205  1.00  0.00           H  
HETATM   94  H   UNL     1     -10.604  -0.666  -1.808  1.00  0.00           H  
HETATM   95  H   UNL     1      -9.488  -1.866  -1.113  1.00  0.00           H  
HETATM   96  H   UNL     1      -5.264  -0.337   2.319  1.00  0.00           H  
HETATM   97  H   UNL     1      -4.988   1.366   2.755  1.00  0.00           H  
HETATM   98  H   UNL     1      -6.122   0.376   3.706  1.00  0.00           H  
HETATM   99  H   UNL     1      10.390   2.310  -1.763  1.00  0.00           H  
HETATM  100  H   UNL     1      10.570   2.313  -3.534  1.00  0.00           H  
HETATM  101  H   UNL     1       9.288   3.282  -2.768  1.00  0.00           H  
HETATM  102  H   UNL     1      -0.132   0.047  -1.142  1.00  0.00           H  
HETATM  103  H   UNL     1       2.005   2.990   1.528  1.00  0.00           H  
HETATM  104  H   UNL     1       7.669   2.023  -4.174  1.00  0.00           H  
CONECT    1   40   16    2   52                                       
CONECT    2    1    8   37   53                                       
CONECT    3   37   42   41   41                                       
CONECT    4   42    5   17   54                                       
CONECT    5   43    4   55   56                                       
CONECT    6   43   44   17   57                                       
CONECT    7   44   18   58   59                                       
CONECT    8    2   19   60   61                                       
CONECT    9   29   10   10   14                                       
CONECT   10    9    9   11   62                                       
CONECT   11   10   12   12   63                                       
CONECT   12   11   11   13   51                                       
CONECT   13   14   14   12   64                                       
CONECT   14    9   13   13   65                                       
CONECT   15   26   36   66   67                                       
CONECT   16    1   36   68   69                                       
CONECT   17    4    6   18   70                                       
CONECT   18    7   17   71   72                                       
CONECT   19    8   24   24   20                                       
CONECT   20   19   21   21   73                                       
CONECT   21   20   20   22   74                                       
CONECT   22   23   23   21   45                                       
CONECT   23   24   22   22   75                                       
CONECT   24   19   19   23   76                                       
CONECT   25   27   77   78   79                                       
CONECT   26   27   15   28   80                                       
CONECT   27   25   26   81   82                                       
CONECT   28   26   83   84   85                                       
CONECT   29   49   35    9   86                                       
CONECT   30   45   50   87   88                                       
CONECT   31   46   33   89   90                                       
CONECT   32   47   34   91   92                                       
CONECT   33   31   93   94   95                                       
CONECT   34   32   96   97   98                                       
CONECT   35   29   99  100  101                                       
CONECT   36   15   16   51                                            
CONECT   37    2    3  102                                            
CONECT   38   51   51                                                 
CONECT   39   51   51                                                 
CONECT   40    1  103                                                 
CONECT   41    3    3                                                 
CONECT   42    3    4                                                 
CONECT   43    5    6                                                 
CONECT   44    7    6                                                 
CONECT   45   22   30                                                 
CONECT   46   50   31                                                 
CONECT   47   50   32                                                 
CONECT   48   50   50                                                 
CONECT   49   29  104                                                 
CONECT   50   30   46   48   48                                       
CONECT   50   47                                                      
CONECT   51   36   12   39   39                                       
CONECT   51   38   38                                                 
CONECT   52    1                                                      
CONECT   53    2                                                      
CONECT   54    4                                                      
CONECT   55    5                                                      
CONECT   56    5                                                      
CONECT   57    6                                                      
CONECT   58    7                                                      
CONECT   59    7                                                      
CONECT   60    8                                                      
CONECT   61    8                                                      
CONECT   62   10                                                      
CONECT   63   11                                                      
CONECT   64   13                                                      
CONECT   65   14                                                      
CONECT   66   15                                                      
CONECT   67   15                                                      
CONECT   68   16                                                      
CONECT   69   16                                                      
CONECT   70   17                                                      
CONECT   71   18                                                      
CONECT   72   18                                                      
CONECT   73   20                                                      
CONECT   74   21                                                      
CONECT   75   23                                                      
CONECT   76   24                                                      
CONECT   77   25                                                      
CONECT   78   25                                                      
CONECT   79   25                                                      
CONECT   80   26                                                      
CONECT   81   27                                                      
CONECT   82   27                                                      
CONECT   83   28                                                      
CONECT   84   28                                                      
CONECT   85   28                                                      
CONECT   86   29                                                      
CONECT   87   30                                                      
CONECT   88   30                                                      
CONECT   89   31                                                      
CONECT   90   31                                                      
CONECT   91   32                                                      
CONECT   92   32                                                      
CONECT   93   33                                                      
CONECT   94   33                                                      
CONECT   95   33                                                      
CONECT   96   34                                                      
CONECT   97   34                                                      
CONECT   98   34                                                      
CONECT   99   35                                                      
CONECT  100   35                                                      
CONECT  101   35                                                      
CONECT  102   37                                                      
CONECT  103   40                                                      
CONECT  104   49                                                      
MASTER        0    0    0    0    0    0    0    0  104    0  104    0
END
