REMARK  Name = BDB063823
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.039  -1.139  -3.370  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -0.051  -0.821  -2.198  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        1.091  -0.501  -1.302  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.359  -0.535  -1.729  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        0.611  -0.205  -0.045  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -0.681  -0.319  -0.145  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -1.118  -0.671  -1.374  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -2.062  -0.822  -1.672  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        3.563  -0.247  -0.932  0.00  0.00    -0.021 A 
ATOM     10  C   LIG    1        3.591   0.762   0.046  0.00  0.00    +0.038 A 
ATOM     11  C   LIG    1        4.784   1.014   0.740  0.00  0.00    +0.089 A 
ATOM     12  C   LIG    1        5.917   0.267   0.438  0.00  0.00    +0.066 A 
ATOM     13  N   LIG    1        6.881   0.759   1.281  0.00  0.00    -0.344 N 
ATOM     14  H   LIG    1        7.838   0.445   1.337  0.00  0.00    +0.167 HD
ATOM     15  C   LIG    1        6.318   1.753   2.031  0.00  0.00    +0.197 A 
ATOM     16  C   LIG    1        5.938  -0.733  -0.533  0.00  0.00    +0.028 A 
ATOM     17  N   LIG    1        5.053   1.933   1.727  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1        4.736  -0.967  -1.215  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  19
ATOM     19  N   LIG    1       -1.502  -0.098   0.909  0.00  0.00    -0.314 N 
ATOM     20  H   LIG    1       -0.995   0.226   1.730  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.942   0.034   0.986  0.00  0.00    +0.073 C 
ATOM     22  C   LIG    1       -3.649  -1.299   0.723  0.00  0.00    +0.022 C 
ATOM     23  C   LIG    1       -5.166  -1.150   0.818  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1       -5.682  -0.036  -0.090  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1       -4.983   1.292   0.193  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1       -3.464   1.162   0.091  0.00  0.00    +0.022 C 
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 3