REMARK  Name = BDB036835
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.275   0.859  -1.141  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1        0.003   0.129   0.095  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1       -0.922  -0.703   0.727  0.00  0.00    +0.248 C 
ATOM      4  O   LIG    1       -0.598  -1.542   1.565  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.382   0.129   0.618  0.00  0.00    +0.163 C 
ATOM      6  C   LIG    1        2.081   1.500   0.590  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1        1.488   2.577   0.557  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1        3.456   1.473   0.659  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1        3.914   2.374   0.645  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1        4.283   0.385   0.542  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1        5.501   0.522   0.481  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        3.620  -0.971   0.539  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1        2.244  -0.910  -0.103  0.00  0.00    +0.041 C 
ENDBRANCH   2   5
BRANCH   3  14
ATOM     14  C   LIG    1       -2.354  -0.580   0.399  0.00  0.00    +0.055 A 
ATOM     15  C   LIG    1       -3.090  -1.728   0.146  0.00  0.00    +0.123 A 
ATOM     16  N   LIG    1       -4.413  -1.720  -0.152  0.00  0.00    -0.263 NA
ATOM     17  C   LIG    1       -5.025  -0.515  -0.162  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1       -4.380   0.682   0.111  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1       -3.018   0.648   0.404  0.00  0.00    +0.016 A 
ENDBRANCH   3  14
TORSDOF 2