COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      11.288   5.444  -0.089  1.00  0.00           O  
HETATM    2  P   UNL     1      10.786   4.007  -0.615  1.00  0.00           P  
HETATM    3  O   UNL     1      11.968   3.297  -1.445  1.00  0.00           O  
HETATM    4  O   UNL     1       9.607   4.187  -1.491  1.00  0.00           O  
HETATM    5  O   UNL     1      10.385   3.086   0.643  1.00  0.00           O  
HETATM    6  C   UNL     1       9.840   1.876   0.111  1.00  0.00           C  
HETATM    7  C   UNL     1      10.655   0.651   0.604  1.00  0.00           C  
HETATM    8  O   UNL     1      11.955   1.048   1.043  1.00  0.00           O  
HETATM    9  C   UNL     1       9.798   0.148   1.794  1.00  0.00           C  
HETATM   10  N   UNL     1      10.039  -1.275   2.042  1.00  0.00           N1+
HETATM   11  C   UNL     1      10.991  -1.769   2.855  1.00  0.00           C  
HETATM   12  C   UNL     1      10.879  -3.169   2.811  1.00  0.00           C  
HETATM   13  C   UNL     1      11.759  -3.935   3.577  1.00  0.00           C  
HETATM   14  N   UNL     1      11.691  -5.319   3.562  1.00  0.00           N  
HETATM   15  N   UNL     1      12.664  -3.307   4.323  1.00  0.00           N  
HETATM   16  C   UNL     1      12.736  -1.988   4.343  1.00  0.00           C  
HETATM   17  N   UNL     1      11.929  -1.226   3.638  1.00  0.00           N  
HETATM   18  N   UNL     1       9.843  -3.441   1.943  1.00  0.00           N  
HETATM   19  C   UNL     1       9.367  -2.254   1.504  1.00  0.00           C  
HETATM   20  O   UNL     1       8.442   0.364   1.347  1.00  0.00           O  
HETATM   21  C   UNL     1       8.422   1.627   0.661  1.00  0.00           C  
HETATM   22  C   UNL     1       7.418   1.577  -0.492  1.00  0.00           C  
HETATM   23  O   UNL     1       6.095   1.456   0.033  1.00  0.00           O  
HETATM   24  P   UNL     1       5.096   1.409  -1.228  1.00  0.00           P  
HETATM   25  O   UNL     1       5.152   2.815  -2.010  1.00  0.00           O  
HETATM   26  O   UNL     1       5.506   0.320  -2.142  1.00  0.00           O  
HETATM   27  O   UNL     1       3.594   1.141  -0.714  1.00  0.00           O  
HETATM   28  P   UNL     1       2.762   0.584  -1.975  1.00  0.00           P  
HETATM   29  O   UNL     1       2.438   1.798  -2.982  1.00  0.00           O  
HETATM   30  O   UNL     1       3.563  -0.441  -2.681  1.00  0.00           O  
HETATM   31  O   UNL     1       1.384  -0.071  -1.462  1.00  0.00           O  
HETATM   32  C   UNL     1       0.751  -0.649  -2.606  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.572  -1.292  -2.185  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.302  -2.383  -1.147  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.488  -0.227  -1.579  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.251  -1.910  -3.410  1.00  0.00           C  
HETATM   37  O   UNL     1      -0.343  -2.804  -4.056  1.00  0.00           O  
HETATM   38  C   UNL     1      -2.478  -2.668  -2.975  1.00  0.00           C  
HETATM   39  O   UNL     1      -2.471  -3.881  -2.966  1.00  0.00           O  
HETATM   40  N   UNL     1      -3.584  -1.999  -2.595  1.00  0.00           N  
HETATM   41  C   UNL     1      -4.763  -2.735  -2.132  1.00  0.00           C  
HETATM   42  C   UNL     1      -5.871  -1.745  -1.765  1.00  0.00           C  
HETATM   43  C   UNL     1      -7.084  -2.502  -1.288  1.00  0.00           C  
HETATM   44  O   UNL     1      -7.064  -3.714  -1.247  1.00  0.00           O  
HETATM   45  N   UNL     1      -8.190  -1.832  -0.909  1.00  0.00           N  
HETATM   46  C   UNL     1      -9.369  -2.568  -0.446  1.00  0.00           C  
HETATM   47  C   UNL     1     -10.476  -1.579  -0.079  1.00  0.00           C  
HETATM   48  S   UNL     1     -11.933  -2.488   0.493  1.00  0.00           S  
HETATM   49  C   UNL     1     -12.987  -1.181   0.828  1.00  0.00           C  
HETATM   50  O   UNL     1     -12.616  -0.040   0.646  1.00  0.00           O  
HETATM   51  C   UNL     1     -14.376  -1.447   1.349  1.00  0.00           C  
HETATM   52  C   UNL     1     -15.147  -2.294   0.335  1.00  0.00           C  
HETATM   53  C   UNL     1     -15.093  -0.139   1.560  1.00  0.00           C  
HETATM   54  C   UNL     1     -15.548   0.205   2.819  1.00  0.00           C  
HETATM   55  C   UNL     1     -16.205   1.406   3.013  1.00  0.00           C  
HETATM   56  C   UNL     1     -16.406   2.263   1.947  1.00  0.00           C  
HETATM   57  C   UNL     1     -15.955   1.918   0.687  1.00  0.00           C  
HETATM   58  C   UNL     1     -15.294   0.719   0.495  1.00  0.00           C  
HETATM   59  C   UNL     1     -17.122   3.572   2.158  1.00  0.00           C  
HETATM   60  C   UNL     1     -16.104   4.659   2.511  1.00  0.00           C  
HETATM   61  C   UNL     1     -15.175   4.894   1.318  1.00  0.00           C  
HETATM   62  C   UNL     1     -16.841   5.958   2.847  1.00  0.00           C  
HETATM   63  H   UNL     1      11.517   5.963  -0.871  1.00  0.00           H  
HETATM   64  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   65  H   UNL     1       9.825   1.912  -0.978  1.00  0.00           H  
HETATM   66  H   UNL     1      10.724  -0.109  -0.174  1.00  0.00           H  
HETATM   67  H   UNL     1      12.374   0.263   1.421  1.00  0.00           H  
HETATM   68  H   UNL     1      10.005   0.733   2.690  1.00  0.00           H  
HETATM   69  H   UNL     1      11.026  -5.766   3.014  1.00  0.00           H  
HETATM   70  H   UNL     1      12.307  -5.841   4.099  1.00  0.00           H  
HETATM   71  H   UNL     1      13.485  -1.518   4.962  1.00  0.00           H  
HETATM   72  H   UNL     1       9.517  -4.320   1.693  1.00  0.00           H  
HETATM   73  H   UNL     1       8.549  -2.135   0.808  1.00  0.00           H  
HETATM   74  H   UNL     1       8.149   2.422   1.356  1.00  0.00           H  
HETATM   75  H   UNL     1       7.637   0.719  -1.127  1.00  0.00           H  
HETATM   76  H   UNL     1       7.493   2.492  -1.079  1.00  0.00           H  
HETATM   77  H   UNL     1       4.878   3.496  -1.380  1.00  0.00           H  
HETATM   78  H   UNL     1       1.916   2.442  -2.484  1.00  0.00           H  
HETATM   79  H   UNL     1       1.403  -1.408  -3.038  1.00  0.00           H  
HETATM   80  H   UNL     1       0.558   0.129  -3.345  1.00  0.00           H  
HETATM   81  H   UNL     1       0.350  -3.142  -1.579  1.00  0.00           H  
HETATM   82  H   UNL     1       0.181  -1.942  -0.275  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.244  -2.841  -0.848  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.374  -0.704  -1.160  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.954   0.305  -0.791  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.787   0.479  -2.354  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.538  -1.120  -4.103  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.114  -3.486  -3.410  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.600  -1.029  -2.628  1.00  0.00           H  
HETATM   90  H   UNL     1      -4.501  -3.327  -1.256  1.00  0.00           H  
HETATM   91  H   UNL     1      -5.114  -3.395  -2.925  1.00  0.00           H  
HETATM   92  H   UNL     1      -6.134  -1.152  -2.641  1.00  0.00           H  
HETATM   93  H   UNL     1      -5.520  -1.085  -0.971  1.00  0.00           H  
HETATM   94  H   UNL     1      -8.206  -0.863  -0.942  1.00  0.00           H  
HETATM   95  H   UNL     1      -9.106  -3.161   0.430  1.00  0.00           H  
HETATM   96  H   UNL     1      -9.720  -3.228  -1.239  1.00  0.00           H  
HETATM   97  H   UNL     1     -10.739  -0.986  -0.955  1.00  0.00           H  
HETATM   98  H   UNL     1     -10.125  -0.919   0.715  1.00  0.00           H  
HETATM   99  H   UNL     1     -14.312  -1.983   2.296  1.00  0.00           H  
HETATM  100  H   UNL     1     -15.211  -1.758  -0.612  1.00  0.00           H  
HETATM  101  H   UNL     1     -14.629  -3.240   0.183  1.00  0.00           H  
HETATM  102  H   UNL     1     -16.152  -2.487   0.712  1.00  0.00           H  
HETATM  103  H   UNL     1     -15.391  -0.465   3.652  1.00  0.00           H  
HETATM  104  H   UNL     1     -16.561   1.674   3.996  1.00  0.00           H  
HETATM  105  H   UNL     1     -16.112   2.587  -0.145  1.00  0.00           H  
HETATM  106  H   UNL     1     -14.938   0.450  -0.489  1.00  0.00           H  
HETATM  107  H   UNL     1     -17.838   3.468   2.973  1.00  0.00           H  
HETATM  108  H   UNL     1     -17.648   3.850   1.245  1.00  0.00           H  
HETATM  109  H   UNL     1     -15.517   4.341   3.372  1.00  0.00           H  
HETATM  110  H   UNL     1     -14.450   5.668   1.569  1.00  0.00           H  
HETATM  111  H   UNL     1     -14.650   3.969   1.079  1.00  0.00           H  
HETATM  112  H   UNL     1     -15.762   5.212   0.457  1.00  0.00           H  
HETATM  113  H   UNL     1     -17.428   6.276   1.985  1.00  0.00           H  
HETATM  114  H   UNL     1     -17.503   5.791   3.696  1.00  0.00           H  
HETATM  115  H   UNL     1     -16.116   6.732   3.098  1.00  0.00           H  
CONECT    1    2   63                                                 
CONECT    2    1    3    3    4                                       
CONECT    2    5                                                      
CONECT    3    2    2                                                 
CONECT    4    2   64                                                 
CONECT    5    2    6                                                 
CONECT    6    5    7   21   65                                       
CONECT    7    6    8    9   66                                       
CONECT    8    7   67                                                 
CONECT    9    7   10   20   68                                       
CONECT   10    9   11   19   19                                       
CONECT   11   10   12   12   17                                       
CONECT   12   11   11   13   18                                       
CONECT   13   12   14   15   15                                       
CONECT   14   13   69   70                                            
CONECT   15   13   13   16                                            
CONECT   16   15   17   17   71                                       
CONECT   17   11   16   16                                            
CONECT   18   12   19   72                                            
CONECT   19   10   10   18   73                                       
CONECT   20    9   21                                                 
CONECT   21    6   20   22   74                                       
CONECT   22   21   23   75   76                                       
CONECT   23   22   24                                                 
CONECT   24   23   25   26   26                                       
CONECT   24   27                                                      
CONECT   25   24   77                                                 
CONECT   26   24   24                                                 
CONECT   27   24   28                                                 
CONECT   28   27   29   30   30                                       
CONECT   28   31                                                      
CONECT   29   28   78                                                 
CONECT   30   28   28                                                 
CONECT   31   28   32                                                 
CONECT   32   31   33   79   80                                       
CONECT   33   32   34   35   36                                       
CONECT   34   33   81   82   83                                       
CONECT   35   33   84   85   86                                       
CONECT   36   33   37   38   87                                       
CONECT   37   36   88                                                 
CONECT   38   36   39   39   40                                       
CONECT   39   38   38                                                 
CONECT   40   38   41   89                                            
CONECT   41   40   42   90   91                                       
CONECT   42   41   43   92   93                                       
CONECT   43   42   44   44   45                                       
CONECT   44   43   43                                                 
CONECT   45   43   46   94                                            
CONECT   46   45   47   95   96                                       
CONECT   47   46   48   97   98                                       
CONECT   48   47   49                                                 
CONECT   49   48   50   50   51                                       
CONECT   50   49   49                                                 
CONECT   51   49   52   53   99                                       
CONECT   52   51  100  101  102                                       
CONECT   53   51   54   58   58                                       
CONECT   54   53   55   55  103                                       
CONECT   55   54   54   56  104                                       
CONECT   56   55   57   57   59                                       
CONECT   57   56   56   58  105                                       
CONECT   58   53   53   57  106                                       
CONECT   59   56   60  107  108                                       
CONECT   60   59   61   62  109                                       
CONECT   61   60  110  111  112                                       
CONECT   62   60  113  114  115                                       
CONECT   63    1                                                      
CONECT   64    4                                                      
CONECT   65    6                                                      
CONECT   66    7                                                      
CONECT   67    8                                                      
CONECT   68    9                                                      
CONECT   69   14                                                      
CONECT   70   14                                                      
CONECT   71   16                                                      
CONECT   72   18                                                      
CONECT   73   19                                                      
CONECT   74   21                                                      
CONECT   75   22                                                      
CONECT   76   22                                                      
CONECT   77   25                                                      
CONECT   78   29                                                      
CONECT   79   32                                                      
CONECT   80   32                                                      
CONECT   81   34                                                      
CONECT   82   34                                                      
CONECT   83   34                                                      
CONECT   84   35                                                      
CONECT   85   35                                                      
CONECT   86   35                                                      
CONECT   87   36                                                      
CONECT   88   37                                                      
CONECT   89   40                                                      
CONECT   90   41                                                      
CONECT   91   41                                                      
CONECT   92   42                                                      
CONECT   93   42                                                      
CONECT   94   45                                                      
CONECT   95   46                                                      
CONECT   96   46                                                      
CONECT   97   47                                                      
CONECT   98   47                                                      
CONECT   99   51                                                      
CONECT  100   52                                                      
CONECT  101   52                                                      
CONECT  102   52                                                      
CONECT  103   54                                                      
CONECT  104   55                                                      
CONECT  105   57                                                      
CONECT  106   58                                                      
CONECT  107   59                                                      
CONECT  108   59                                                      
CONECT  109   60                                                      
CONECT  110   61                                                      
CONECT  111   61                                                      
CONECT  112   61                                                      
CONECT  113   62                                                      
CONECT  114   62                                                      
CONECT  115   62                                                      
MASTER        0    0    0    0    0    0    0    0  115    0  115    0
END
