REMARK  Name = BDB016276
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.400   1.058  -0.841  0.00  0.00    +0.026 A 
ATOM      2  C   LIG    1       -1.582   0.586  -0.205  0.00  0.00    +0.150 A 
ATOM      3  O   LIG    1       -1.344  -0.425   0.682  0.00  0.00    -0.486 OA
ATOM      4  C   LIG    1       -2.367  -1.343   1.035  0.00  0.00    +0.179 C 
ATOM      5  C   LIG    1       -3.427  -0.674   1.876  0.00  0.00    +0.140 C 
ATOM      6  C   LIG    1       -4.445   0.057   1.065  0.00  0.00    +0.221 C 
ATOM      7  N   LIG    1       -4.072   0.871   0.048  0.00  0.00    -0.282 N 
ATOM      8  H   LIG    1       -4.878   1.345  -0.344  0.00  0.00    +0.155 HD
ATOM      9  O   LIG    1       -5.644  -0.020   1.345  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -2.849  -2.200  -0.134  0.00  0.00    +0.052 C 
ATOM     11  C   LIG    1       -2.819   1.171  -0.514  0.00  0.00    +0.076 A 
ATOM     12  C   LIG    1       -2.863   2.184  -1.492  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1       -1.711   2.635  -2.132  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1       -0.485   2.077  -1.803  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  17
ATOM     15  C   LIG    1        1.263   2.102   1.393  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1        1.738   0.976   0.510  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1        0.929   0.485  -0.542  0.00  0.00    -0.011 A 
ATOM     18  C   LIG    1        1.399  -0.578  -1.344  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        2.659  -1.143  -1.092  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        3.438  -2.178  -1.653  0.00  0.00    +0.143 A 
ATOM     21  N   LIG    1        4.611  -2.336  -1.035  0.00  0.00    -0.179 NA
ATOM     22  N   LIG    1        4.582  -1.397  -0.067  0.00  0.00    -0.267 N 
ATOM     23  C   LIG    1        5.705  -1.265   0.831  0.00  0.00    +0.173 C 
ATOM     24  C   LIG    1        3.433  -0.644  -0.052  0.00  0.00    +0.069 A 
ATOM     25  C   LIG    1        3.003   0.409   0.766  0.00  0.00    +0.032 A 
ENDBRANCH   1  17
TORSDOF 1