REMARK  Name = BDB018729
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.718  -1.591  -1.182  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1       -0.954  -0.375  -0.268  0.00  0.00    +0.133 C 
ATOM      3  C   LIG    1       -0.241  -0.671   1.096  0.00  0.00    +0.242 C 
ATOM      4  O   LIG    1       -0.626  -1.507   1.911  0.00  0.00    -0.273 OA
ATOM      5  N   LIG    1        0.916   0.031   1.355  0.00  0.00    -0.298 N 
ATOM      6  H   LIG    1        1.369  -0.308   2.197  0.00  0.00    +0.150 HD
ATOM      7  C   LIG    1        1.784   0.498   0.263  0.00  0.00    +0.129 C 
ATOM      8  C   LIG    1        2.719  -0.603  -0.267  0.00  0.00    +0.151 C 
ATOM      9  N   LIG    1        3.868  -0.624   0.690  0.00  0.00    -0.267 N 
ATOM     10  C   LIG    1        3.893   0.666   1.427  0.00  0.00    +0.119 C 
ATOM     11  C   LIG    1        2.797   1.516   0.798  0.00  0.00    +0.056 C 
ATOM     12  C   LIG    1        0.965   1.112  -0.889  0.00  0.00    +0.239 C 
ATOM     13  O   LIG    1        1.455   1.799  -1.782  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -0.371   0.812  -0.917  0.00  0.00    -0.296 N 
ATOM     15  H   LIG    1       -0.867   1.190  -1.715  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   2  16
ATOM     16  C   LIG    1       -2.440  -0.070  -0.007  0.00  0.00    -0.016 A 
ATOM     17  C   LIG    1       -2.787   1.099   0.703  0.00  0.00    +0.006 A 
ATOM     18  C   LIG    1       -4.120   1.423   0.963  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -5.138   0.583   0.522  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -4.821  -0.579  -0.174  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -3.486  -0.905  -0.435  0.00  0.00    +0.006 A 
ENDBRANCH   2  16
BRANCH   9  22
ATOM     22  C   LIG    1        4.913  -1.453   0.588  0.00  0.00    +0.169 C 
ATOM     23  N   LIG    1        5.818  -2.168   0.492  0.00  0.00    -0.174 NA
ENDBRANCH   9  22
TORSDOF 2