REMARK  Name = BDB006706
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.679  -0.611   0.339  0.00  0.00    -0.253 N 
ATOM      2  C   LIG    1        0.293   0.423   0.808  0.00  0.00    +0.149 C 
ATOM      3  C   LIG    1        1.597  -0.200   0.495  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1        1.402  -1.435  -0.108  0.00  0.00    +0.153 A 
ATOM      5  N   LIG    1        2.536  -2.061  -0.399  0.00  0.00    -0.166 NA
ATOM      6  N   LIG    1        3.486  -1.177   0.014  0.00  0.00    -0.265 N 
ATOM      7  C   LIG    1        2.956  -0.036   0.603  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1        3.771   1.059   1.179  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1       -0.007  -1.738  -0.237  0.00  0.00    +0.272 C 
ATOM     10  O   LIG    1       -0.482  -2.762  -0.705  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  19
ATOM     11  C   LIG    1       -4.474   2.003   2.209  0.00  0.00    +0.047 C 
ATOM     12  C   LIG    1       -3.970   0.831   1.406  0.00  0.00    -0.004 A 
ATOM     13  C   LIG    1       -4.858  -0.110   0.799  0.00  0.00    +0.164 A 
ATOM     14  N   LIG    1       -4.309  -1.162   0.091  0.00  0.00    -0.285 N 
ATOM     15  C   LIG    1       -5.388  -1.889  -0.365  0.00  0.00    +0.135 A 
ATOM     16  N   LIG    1       -6.503  -1.313   0.041  0.00  0.00    -0.134 NA
ATOM     17  C   LIG    1       -5.278  -3.118  -1.181  0.00  0.00    +0.088 C 
ATOM     18  C   LIG    1       -2.941  -1.353  -0.071  0.00  0.00    +0.118 A 
ATOM     19  C   LIG    1       -2.062  -0.487   0.475  0.00  0.00    +0.055 A 
ATOM     20  N   LIG    1       -6.169  -0.197   0.772  0.00  0.00    -0.129 NA
ATOM     21  C   LIG    1       -2.638   0.631   1.243  0.00  0.00    +0.032 A 
ENDBRANCH   1  19
BRANCH   2  22
ATOM     22  C   LIG    1        0.268   1.741   0.065  0.00  0.00    +0.013 A 
ATOM     23  C   LIG    1        0.087   1.827  -1.324  0.00  0.00    +0.130 A 
ATOM     24  F   LIG    1       -0.072   0.715  -2.054  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1        0.069   3.050  -1.988  0.00  0.00    +0.058 A 
ATOM     26  C   LIG    1        0.238   4.222  -1.261  0.00  0.00    +0.044 A 
ATOM     27 CL   LIG    1        0.221   5.740  -2.068  0.00  0.00    -0.083 Cl
ATOM     28  C   LIG    1        0.424   4.175   0.119  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        0.441   2.942   0.779  0.00  0.00    +0.010 A 
ENDBRANCH   2  22
BRANCH   6  30
ATOM     30  C   LIG    1        4.897  -1.512  -0.175  0.00  0.00    +0.101 C 
ATOM     31  C   LIG    1        5.305  -2.696   0.699  0.00  0.00    +0.032 C 
ATOM     32  C   LIG    1        5.222  -1.766  -1.647  0.00  0.00    +0.032 C 
ENDBRANCH   6  30
TORSDOF 3