COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNK     1       2.094  -6.645  -0.476  1.00  0.00           O  
HETATM    2  P   UNK     1       1.834  -5.506  -1.419  1.00  0.00           P  
HETATM    3  O   UNK     1       1.514  -4.100  -0.688  1.00  0.00           O  
HETATM    4  P   UNK     1       2.395  -3.212   0.336  1.00  0.00           P  
HETATM    5  O   UNK     1       1.365  -2.049   0.777  1.00  0.00           O  
HETATM    6  C   UNK     1       0.101  -2.432   1.307  1.00  0.00           C  
HETATM    7  C   UNK     1      -0.749  -1.191   1.673  1.00  0.00           C  
HETATM    8  C   UNK     1       0.006  -0.369   2.745  1.00  0.00           C  
HETATM    9  C   UNK     1      -0.918  -0.291   0.433  1.00  0.00           C  
HETATM   10  C   UNK     1      -2.133  -1.609   2.253  1.00  0.00           C  
HETATM   11  O   UNK     1      -2.890  -0.444   2.574  1.00  0.00           O  
HETATM   12  C   UNK     1      -2.992  -2.432   1.296  1.00  0.00           C  
HETATM   13  N   UNK     1      -2.815  -3.797   1.456  1.00  0.00           N  
HETATM   14  C   UNK     1      -3.500  -4.779   0.648  1.00  0.00           C  
HETATM   15  C   UNK     1      -2.669  -5.101  -0.587  1.00  0.00           C  
HETATM   16  C   UNK     1      -3.341  -6.119  -1.490  1.00  0.00           C  
HETATM   17  N   UNK     1      -2.568  -6.398  -2.608  1.00  0.00           N  
HETATM   18  C   UNK     1      -2.975  -7.335  -3.629  1.00  0.00           C  
HETATM   19  C   UNK     1      -2.507  -8.758  -3.352  1.00  0.00           C  
HETATM   20  S   UNK     1      -0.694  -8.885  -3.290  1.00  0.00           S  
HETATM   21  C   UNK     1      -0.570 -10.656  -2.955  1.00  0.00           C  
HETATM   22  C   UNK     1       0.895 -11.067  -2.895  1.00  0.00           C  
HETATM   23  C   UNK     1      -1.286 -10.933  -1.641  1.00  0.00           C  
HETATM   24  N   UNK     1      -2.643 -11.167  -1.815  1.00  0.00           N  
HETATM   25  C   UNK     1      -3.535 -11.434  -0.711  1.00  0.00           C  
HETATM   26  C   UNK     1      -3.632 -12.930  -0.404  1.00  0.00           C  
HETATM   27  C   UNK     1      -4.192 -13.746  -1.575  1.00  0.00           C  
HETATM   28  C   UNK     1      -4.347 -15.238  -1.254  1.00  0.00           C  
HETATM   29  C   UNK     1      -4.852 -16.092  -2.418  1.00  0.00           C  
HETATM   30  N   UNK     1      -4.009 -15.991  -3.581  1.00  0.00           N  
HETATM   31  C   UNK     1      -6.232 -15.630  -2.845  1.00  0.00           C  
HETATM   32  O   UNK     1      -6.512 -15.157  -3.939  1.00  0.00           O  
HETATM   33  O   UNK     1      -0.708 -10.928  -0.556  1.00  0.00           O  
HETATM   34  O   UNK     1      -4.433  -6.622  -1.241  1.00  0.00           O  
HETATM   35  O   UNK     1      -3.736  -1.911   0.467  1.00  0.00           O  
HETATM   36  O   UNK     1       3.711  -2.746  -0.215  1.00  0.00           O  
HETATM   37  O   UNK     1       2.498  -4.159   1.643  1.00  0.00           O  
HETATM   38  O   UNK     1       0.556  -5.719  -2.387  1.00  0.00           O  
HETATM   39  O   UNK     1       3.053  -5.170  -2.429  1.00  0.00           O  
HETATM   40  C   UNK     1       2.927  -4.115  -3.366  1.00  0.00           C  
HETATM   41  C   UNK     1       4.205  -4.019  -4.179  1.00  0.00           C  
HETATM   42  C   UNK     1       4.175  -2.922  -5.229  1.00  0.00           C  
HETATM   43  O   UNK     1       4.458  -1.653  -4.680  1.00  0.00           O  
HETATM   44  P   UNK     1       4.579  -0.397  -5.686  1.00  0.00           P  
HETATM   45  O   UNK     1       5.652  -0.516  -6.729  1.00  0.00           O  
HETATM   46  O   UNK     1       4.712   0.878  -4.700  1.00  0.00           O  
HETATM   47  O   UNK     1       3.075  -0.264  -6.266  1.00  0.00           O  
HETATM   48  C   UNK     1       5.218  -3.397  -6.222  1.00  0.00           C  
HETATM   49  O   UNK     1       6.530  -3.010  -5.818  1.00  0.00           O  
HETATM   50  C   UNK     1       5.095  -4.920  -6.142  1.00  0.00           C  
HETATM   51  N   UNK     1       4.376  -5.510  -7.272  1.00  0.00           N  
HETATM   52  C   UNK     1       4.940  -6.005  -8.419  1.00  0.00           C  
HETATM   53  N   UNK     1       4.037  -6.472  -9.256  1.00  0.00           N  
HETATM   54  C   UNK     1       2.835  -6.271  -8.625  1.00  0.00           C  
HETATM   55  C   UNK     1       3.024  -5.674  -7.389  1.00  0.00           C  
HETATM   56  N   UNK     1       2.079  -5.332  -6.500  1.00  0.00           N  
HETATM   57  C   UNK     1       0.853  -5.652  -6.967  1.00  0.00           C  
HETATM   58  N   UNK     1       0.517  -6.233  -8.144  1.00  0.00           N  
HETATM   59  C   UNK     1       1.523  -6.551  -8.994  1.00  0.00           C  
HETATM   60  N   UNK     1       1.239  -7.156 -10.231  1.00  0.00           N  
HETATM   61  O   UNK     1       4.407  -5.238  -4.914  1.00  0.00           O  
HETATM   62  O   UNK     1      -7.141 -15.752  -1.841  1.00  0.00           O  
HETATM   63  H   UNK     1      -0.401  -3.042   0.549  1.00  0.00           H  
HETATM   64  H   UNK     1       0.283  -3.059   2.187  1.00  0.00           H  
HETATM   65  H   UNK     1      -0.590   0.492   3.070  1.00  0.00           H  
HETATM   66  H   UNK     1       0.957   0.019   2.362  1.00  0.00           H  
HETATM   67  H   UNK     1       0.231  -0.973   3.630  1.00  0.00           H  
HETATM   68  H   UNK     1       0.042   0.125   0.105  1.00  0.00           H  
HETATM   69  H   UNK     1      -1.583   0.554   0.647  1.00  0.00           H  
HETATM   70  H   UNK     1      -1.334  -0.846  -0.414  1.00  0.00           H  
HETATM   71  H   UNK     1      -1.993  -2.169   3.186  1.00  0.00           H  
HETATM   72  H   UNK     1      -3.268  -0.123   1.742  1.00  0.00           H  
HETATM   73  H   UNK     1      -2.157  -4.137   2.150  1.00  0.00           H  
HETATM   74  H   UNK     1      -3.670  -5.683   1.243  1.00  0.00           H  
HETATM   75  H   UNK     1      -4.482  -4.390   0.359  1.00  0.00           H  
HETATM   76  H   UNK     1      -1.690  -5.497  -0.288  1.00  0.00           H  
HETATM   77  H   UNK     1      -2.490  -4.188  -1.168  1.00  0.00           H  
HETATM   78  H   UNK     1      -1.677  -5.922  -2.714  1.00  0.00           H  
HETATM   79  H   UNK     1      -4.070  -7.312  -3.655  1.00  0.00           H  
HETATM   80  H   UNK     1      -2.610  -6.965  -4.593  1.00  0.00           H  
HETATM   81  H   UNK     1      -2.913  -9.124  -2.403  1.00  0.00           H  
HETATM   82  H   UNK     1      -2.859  -9.420  -4.149  1.00  0.00           H  
HETATM   83  H   UNK     1      -1.063 -11.200  -3.768  1.00  0.00           H  
HETATM   84  H   UNK     1       1.445 -10.532  -2.112  1.00  0.00           H  
HETATM   85  H   UNK     1       0.980 -12.137  -2.671  1.00  0.00           H  
HETATM   86  H   UNK     1       1.398 -10.890  -3.852  1.00  0.00           H  
HETATM   87  H   UNK     1      -3.045 -11.107  -2.745  1.00  0.00           H  
HETATM   88  H   UNK     1      -4.528 -11.034  -0.944  1.00  0.00           H  
HETATM   89  H   UNK     1      -3.171 -10.908   0.178  1.00  0.00           H  
HETATM   90  H   UNK     1      -2.642 -13.305  -0.121  1.00  0.00           H  
HETATM   91  H   UNK     1      -4.283 -13.062   0.470  1.00  0.00           H  
HETATM   92  H   UNK     1      -5.180 -13.353  -1.842  1.00  0.00           H  
HETATM   93  H   UNK     1      -3.557 -13.623  -2.460  1.00  0.00           H  
HETATM   94  H   UNK     1      -5.038 -15.333  -0.405  1.00  0.00           H  
HETATM   95  H   UNK     1      -3.384 -15.629  -0.903  1.00  0.00           H  
HETATM   96  H   UNK     1      -4.896 -17.155  -2.163  1.00  0.00           H  
HETATM   97  H   UNK     1      -4.436 -15.883  -4.486  1.00  0.00           H  
HETATM   98  H   UNK     1      -3.035 -16.231  -3.502  1.00  0.00           H  
HETATM   99  H   UNK     1       3.069  -3.878   2.390  1.00  0.00           H  
HETATM  100  H   UNK     1       0.446  -6.580  -2.845  1.00  0.00           H  
HETATM  101  H   UNK     1       2.072  -4.322  -4.018  1.00  0.00           H  
HETATM  102  H   UNK     1       2.746  -3.181  -2.825  1.00  0.00           H  
HETATM  103  H   UNK     1       5.049  -3.888  -3.492  1.00  0.00           H  
HETATM  104  H   UNK     1       3.193  -2.889  -5.716  1.00  0.00           H  
HETATM  105  H   UNK     1       4.863   1.765  -5.090  1.00  0.00           H  
HETATM  106  H   UNK     1       2.898   0.382  -6.983  1.00  0.00           H  
HETATM  107  H   UNK     1       5.061  -2.990  -7.226  1.00  0.00           H  
HETATM  108  H   UNK     1       6.646  -3.300  -4.896  1.00  0.00           H  
HETATM  109  H   UNK     1       6.069  -5.420  -6.129  1.00  0.00           H  
HETATM  110  H   UNK     1       6.008  -5.997  -8.586  1.00  0.00           H  
HETATM  111  H   UNK     1       0.023  -5.409  -6.312  1.00  0.00           H  
HETATM  112  H   UNK     1       1.430  -6.657 -11.079  1.00  0.00           H  
HETATM  113  H   UNK     1       0.763  -8.038 -10.250  1.00  0.00           H  
HETATM  114  H   UNK     1      -8.044 -15.433  -2.054  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   38                                       
CONECT    2   39                                                      
CONECT    3    2    4                                                 
CONECT    4    3    5   36   36                                       
CONECT    4   37                                                      
CONECT    5    4    6                                                 
CONECT    6    5    7   63   64                                       
CONECT    7    6    8    9   10                                       
CONECT    8    7   65   66   67                                       
CONECT    9    7   68   69   70                                       
CONECT   10    7   11   12   71                                       
CONECT   11   10   72                                                 
CONECT   12   10   13   35   35                                       
CONECT   13   12   14   73                                            
CONECT   14   13   15   74   75                                       
CONECT   15   14   16   76   77                                       
CONECT   16   15   17   34   34                                       
CONECT   17   16   18   78                                            
CONECT   18   17   19   79   80                                       
CONECT   19   18   20   81   82                                       
CONECT   20   19   21                                                 
CONECT   21   20   22   23   83                                       
CONECT   22   21   84   85   86                                       
CONECT   23   21   24   33   33                                       
CONECT   24   23   25   87                                            
CONECT   25   24   26   88   89                                       
CONECT   26   25   27   90   91                                       
CONECT   27   26   28   92   93                                       
CONECT   28   27   29   94   95                                       
CONECT   29   28   30   31   96                                       
CONECT   30   29   97   98                                            
CONECT   31   29   32   32   62                                       
CONECT   32   31   31                                                 
CONECT   33   23   23                                                 
CONECT   34   16   16                                                 
CONECT   35   12   12                                                 
CONECT   36    4    4                                                 
CONECT   37    4   99                                                 
CONECT   38    2  100                                                 
CONECT   39    2   40                                                 
CONECT   40   39   41  101  102                                       
CONECT   41   40   42   61  103                                       
CONECT   42   41   43   48  104                                       
CONECT   43   42   44                                                 
CONECT   44   43   45   45   46                                       
CONECT   44   47                                                      
CONECT   45   44   44                                                 
CONECT   46   44  105                                                 
CONECT   47   44  106                                                 
CONECT   48   42   49   50  107                                       
CONECT   49   48  108                                                 
CONECT   50   48   51   61  109                                       
CONECT   51   50   52   55                                            
CONECT   52   51   53   53  110                                       
CONECT   53   52   52   54                                            
CONECT   54   53   55   55   59                                       
CONECT   55   51   54   54   56                                       
CONECT   56   55   57   57                                            
CONECT   57   56   56   58  111                                       
CONECT   58   57   59   59                                            
CONECT   59   54   58   58   60                                       
CONECT   60   59  112  113                                            
CONECT   61   41   50                                                 
CONECT   62   31  114                                                 
CONECT   63    6                                                      
CONECT   64    6                                                      
CONECT   65    8                                                      
CONECT   66    8                                                      
CONECT   67    8                                                      
CONECT   68    9                                                      
CONECT   69    9                                                      
CONECT   70    9                                                      
CONECT   71   10                                                      
CONECT   72   11                                                      
CONECT   73   13                                                      
CONECT   74   14                                                      
CONECT   75   14                                                      
CONECT   76   15                                                      
CONECT   77   15                                                      
CONECT   78   17                                                      
CONECT   79   18                                                      
CONECT   80   18                                                      
CONECT   81   19                                                      
CONECT   82   19                                                      
CONECT   83   21                                                      
CONECT   84   22                                                      
CONECT   85   22                                                      
CONECT   86   22                                                      
CONECT   87   24                                                      
CONECT   88   25                                                      
CONECT   89   25                                                      
CONECT   90   26                                                      
CONECT   91   26                                                      
CONECT   92   27                                                      
CONECT   93   27                                                      
CONECT   94   28                                                      
CONECT   95   28                                                      
CONECT   96   29                                                      
CONECT   97   30                                                      
CONECT   98   30                                                      
CONECT   99   37                                                      
CONECT  100   38                                                      
CONECT  101   40                                                      
CONECT  102   40                                                      
CONECT  103   41                                                      
CONECT  104   42                                                      
CONECT  105   46                                                      
CONECT  106   47                                                      
CONECT  107   48                                                      
CONECT  108   49                                                      
CONECT  109   50                                                      
CONECT  110   52                                                      
CONECT  111   57                                                      
CONECT  112   60                                                      
CONECT  113   60                                                      
CONECT  114   62                                                      
MASTER        0    0    0    0    0    0    0    0  114    0  114    0
END
