REMARK  Name = BDB046283
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.445  -1.244  -1.007  0.00  0.00    +0.122 A 
ATOM      2  N   LIG    1        0.432  -0.270  -0.687  0.00  0.00    -0.230 NA
ATOM      3  C   LIG    1        1.662  -0.617  -0.229  0.00  0.00    +0.097 A 
ATOM      4  C   LIG    1        2.066  -1.943  -0.094  0.00  0.00    +0.068 A 
ATOM      5  N   LIG    1        3.348  -2.253   0.372  0.00  0.00    -0.320 N 
ATOM      6  H   LIG    1        3.645  -3.216   0.466  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1        4.279  -1.301   0.723  0.00  0.00    +0.257 A 
ATOM      8  C   LIG    1        3.880   0.129   0.601  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1        4.798   1.126   0.958  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        4.440   2.469   0.856  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        3.170   2.815   0.400  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        2.256   1.820   0.042  0.00  0.00    +0.011 A 
ATOM     13  O   LIG    1        5.393  -1.626   1.121  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1        1.178  -2.949  -0.438  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        2.593   0.459   0.135  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1       -0.087  -2.591  -0.901  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  21
ATOM     17  C   LIG    1       -4.665   1.098  -0.656  0.00  0.00    -0.040 C 
ATOM     18  N   LIG    1       -3.383   0.942   0.113  0.00  0.00    +0.422 N 
ATOM     19  C   LIG    1       -2.192   1.428  -0.693  0.00  0.00    -0.010 C 
ATOM     20  C   LIG    1       -1.864   0.519  -1.879  0.00  0.00    +0.093 C 
ATOM     21  N   LIG    1       -1.719  -0.899  -1.489  0.00  0.00    -0.318 N 
ATOM     22  C   LIG    1       -2.841  -1.412  -0.678  0.00  0.00    +0.093 C 
ATOM     23  C   LIG    1       -3.146  -0.501   0.512  0.00  0.00    -0.010 C 
ATOM     24  O   LIG    1       -3.498   1.706   1.258  0.00  0.00    -0.292 OA
ENDBRANCH   1  21
TORSDOF 1