REMARK  Name = BDB006669
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.135  -1.994  -0.299  0.00  0.00    -0.259 N 
ATOM      2  C   LIG    1        1.957  -1.429   0.020  0.00  0.00    +0.129 A 
ATOM      3  C   LIG    1        0.571  -1.693  -0.095  0.00  0.00    +0.270 C 
ATOM      4  N   LIG    1       -0.061  -0.569   0.522  0.00  0.00    -0.253 N 
ATOM      5  C   LIG    1        0.957   0.429   1.008  0.00  0.00    +0.146 C 
ATOM      6  O   LIG    1        0.075  -2.682  -0.608  0.00  0.00    -0.268 OA
ATOM      7  C   LIG    1        2.216  -0.243   0.633  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1        3.610  -0.139   0.670  0.00  0.00    +0.066 A 
ATOM      9  C   LIG    1        4.448   0.952   1.218  0.00  0.00    +0.068 C 
ATOM     10  N   LIG    1        4.180  -1.219   0.096  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -1.435  -0.419   0.709  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1       -2.349  -1.286   0.225  0.00  0.00    +0.118 A 
ATOM     13  N   LIG    1       -3.705  -1.073   0.444  0.00  0.00    -0.285 N 
ATOM     14  C   LIG    1       -4.209   0.004   1.148  0.00  0.00    +0.164 A 
ATOM     15  N   LIG    1       -5.521  -0.068   1.185  0.00  0.00    -0.129 NA
ATOM     16  N   LIG    1       -5.901  -1.199   0.501  0.00  0.00    -0.134 NA
ATOM     17  C   LIG    1       -3.283   0.951   1.686  0.00  0.00    -0.004 A 
ATOM     18  C   LIG    1       -3.736   2.156   2.470  0.00  0.00    +0.047 C 
ATOM     19  C   LIG    1       -4.813  -1.798   0.059  0.00  0.00    +0.135 A 
ATOM     20  C   LIG    1       -4.756  -3.051  -0.727  0.00  0.00    +0.088 C 
ATOM     21  C   LIG    1       -1.963   0.729   1.468  0.00  0.00    +0.032 A 
ENDBRANCH   4  11
BRANCH   5  22
ATOM     22  C   LIG    1        0.965   1.759   0.278  0.00  0.00    -0.022 A 
ATOM     23  C   LIG    1        1.295   2.929   0.988  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1        1.316   4.172   0.349  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        1.010   4.260  -1.006  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1        1.037   5.790  -1.790  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1        0.685   3.116  -1.729  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        0.664   1.872  -1.092  0.00  0.00    +0.007 A 
ENDBRANCH   5  22
BRANCH   1  30
ATOM     29  C   LIG    1        3.418  -3.103  -2.476  0.00  0.00    +0.029 C 
ATOM     30  C   LIG    1        3.367  -3.257  -0.967  0.00  0.00    +0.141 C 
ENDBRANCH   1  30
TORSDOF 3