REMARK  Name = BDB055661
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.639   2.716  -0.741  0.00  0.00    +0.086 A 
ATOM      2  N   LIG    1        3.786   1.955  -0.718  0.00  0.00    -0.345 N 
ATOM      3  H   LIG    1        4.732   2.289  -0.837  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        3.456   0.649  -0.493  0.00  0.00    +0.155 A 
ATOM      5  N   LIG    1        4.372  -0.351  -0.399  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1        3.846  -1.524  -0.159  0.00  0.00    +0.139 A 
ATOM      7  C   LIG    1        2.418  -1.748  -0.013  0.00  0.00    +0.065 A 
ATOM      8  N   LIG    1        1.530  -0.692  -0.146  0.00  0.00    -0.309 N 
ATOM      9  C   LIG    1        0.235  -1.161   0.004  0.00  0.00    +0.028 A 
ATOM     10  C   LIG    1        0.337  -2.516   0.300  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1        1.702  -2.887   0.271  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1        2.081   0.587  -0.385  0.00  0.00    +0.091 A 
ATOM     13  C   LIG    1        1.556   1.881  -0.531  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   9  14
ATOM     14  C   LIG    1       -0.992  -0.294  -0.119  0.00  0.00    +0.036 C 
ATOM     15  C   LIG    1       -1.359   0.334   1.230  0.00  0.00    +0.009 C 
ATOM     16  C   LIG    1       -2.479   1.368   1.090  0.00  0.00    +0.001 C 
ATOM     17  C   LIG    1       -3.416   1.102  -0.089  0.00  0.00    +0.000 C 
ATOM     18  C   LIG    1       -3.551  -0.387  -0.377  0.00  0.00    +0.001 C 
ATOM     19  C   LIG    1       -2.206  -1.041  -0.714  0.00  0.00    +0.009 C 
ENDBRANCH   9  14
TORSDOF 1