REMARK  Name = BDB064080
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        3.262   2.499  -1.130  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        3.371   1.384  -0.660  0.00  0.00    +0.264 C 
ATOM      3  C   LIG    1        2.268   0.456  -0.268  0.00  0.00    +0.098 C 
ATOM      4  C   LIG    1        0.961   0.708  -0.373  0.00  0.00    +0.058 C 
ATOM      5  N   LIG    1        2.863  -0.680   0.211  0.00  0.00    -0.292 N 
ATOM      6  H   LIG    1        2.333  -1.479   0.548  0.00  0.00    +0.154 HD
ATOM      7  C   LIG    1        4.235  -0.545   0.153  0.00  0.00    +0.141 C 
ATOM      8  S   LIG    1        5.343  -1.670   0.626  0.00  0.00    -0.018 S 
ATOM      9  N   LIG    1        4.519   0.692  -0.369  0.00  0.00    -0.263 N 
ATOM     10  H   LIG    1        5.445   1.055  -0.523  0.00  0.00    +0.157 HD
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -0.100  -0.180   0.003  0.00  0.00    +0.095 A 
ATOM     12  C   LIG    1       -1.492   0.118  -0.122  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1       -2.145  -1.013   0.356  0.00  0.00    +0.066 A 
ATOM     14  C   LIG    1       -3.538  -1.131   0.407  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -4.287  -0.042  -0.051  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -3.664   1.107  -0.537  0.00  0.00    +0.001 A 
ATOM     17  N   LIG    1       -1.150  -1.876   0.719  0.00  0.00    -0.276 N 
ATOM     18  H   LIG    1       -1.256  -2.805   1.110  0.00  0.00    +0.189 HD
ATOM     19  C   LIG    1       -2.268   1.203  -0.579  0.00  0.00    +0.012 A 
ATOM     20  N   LIG    1        0.093  -1.406   0.519  0.00  0.00    -0.173 NA
ENDBRANCH   4  11
TORSDOF 1