REMARK  Name = BDB061005
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.106  -2.954   0.406  0.00  0.00    +0.113 A 
ATOM      2  C   LIG    1        0.224  -1.859   0.651  0.00  0.00    +0.010 A 
ATOM      3  C   LIG    1       -0.828  -1.613  -0.281  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -1.749  -0.528  -0.083  0.00  0.00    +0.035 A 
ATOM      5  C   LIG    1       -1.549   0.322   1.009  0.00  0.00    +0.023 A 
ATOM      6  C   LIG    1       -0.531   0.094   1.925  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -0.922  -2.464  -1.410  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -0.057  -3.536  -1.622  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        0.329  -0.983   1.756  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        0.954  -3.786  -0.712  0.00  0.00    +0.029 A 
ENDROOT
BRANCH   1  12
ATOM     11  O   LIG    1        3.284  -4.370   0.877  0.00  0.00    -0.153 OA
ATOM     12  S   LIG    1        2.489  -3.319   1.476  0.00  0.00    +0.059 S 
ATOM     13  O   LIG    1        1.995  -3.434   2.829  0.00  0.00    -0.153 OA
BRANCH  12  14
ATOM     14  N   LIG    1        3.397  -1.923   1.400  0.00  0.00    -0.186 NA
ATOM     15  H   LIG    1        3.695  -1.544   2.295  0.00  0.00    +0.148 HD
BRANCH  14  16
ATOM     16  C   LIG    1        4.215  -1.673   0.223  0.00  0.00    +0.141 C 
BRANCH  16  17
ATOM     17  C   LIG    1        4.482  -0.197   0.068  0.00  0.00    -0.032 A 
ATOM     18  C   LIG    1        5.745   0.341   0.351  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        5.975   1.712   0.221  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        4.945   2.558  -0.188  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        3.683   2.035  -0.465  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        3.451   0.666  -0.336  0.00  0.00    +0.005 A 
ENDBRANCH  16  17
ENDBRANCH  14  16
ENDBRANCH  12  14
ENDBRANCH   1  12
BRANCH   4  23
ATOM     23  N   LIG    1       -2.775  -0.324  -1.013  0.00  0.00    -0.340 N 
ATOM     24  H   LIG    1       -3.225  -1.211  -1.234  0.00  0.00    +0.146 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -3.741   0.781  -1.073  0.00  0.00    +0.073 C 
ATOM     26  C   LIG    1       -4.722   0.801   0.105  0.00  0.00    +0.037 C 
ATOM     27  C   LIG    1       -5.071   2.228   0.526  0.00  0.00    +0.082 C 
ATOM     28  N   LIG    1       -5.330   3.056  -0.644  0.00  0.00    -0.316 NA
ATOM     29  H   LIG    1       -5.682   3.972  -0.364  0.00  0.00    +0.122 HD
ATOM     30  C   LIG    1       -4.156   3.221  -1.505  0.00  0.00    +0.082 C 
ATOM     31  C   LIG    1       -3.089   2.134  -1.349  0.00  0.00    +0.037 C 
ENDBRANCH  23  25
ENDBRANCH   4  23
TORSDOF 6