REMARK  Name = BDB023081
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.434   0.592   1.589  0.00  0.00    +0.120 C 
ATOM      2  C   LIG    1        0.262  -0.821   2.200  0.00  0.00    +0.166 C 
ATOM      3  C   LIG    1        1.645  -1.459   2.072  0.00  0.00    +0.151 C 
ATOM      4  C   LIG    1        2.134  -0.972   0.705  0.00  0.00    +0.055 C 
ATOM      5  C   LIG    1        1.716   0.511   0.725  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  11
ATOM      6  N   LIG    1       -5.378   2.217   0.542  0.00  0.00    -0.169 NA
ATOM      7  C   LIG    1       -4.314   1.894   1.219  0.00  0.00    +0.184 A 
ATOM      8  C   LIG    1       -2.966   1.651   0.702  0.00  0.00    +0.098 A 
ATOM      9  C   LIG    1       -2.307   1.731  -0.536  0.00  0.00    +0.154 A 
ATOM     10  C   LIG    1       -0.991   1.345  -0.389  0.00  0.00    +0.127 A 
ATOM     11  N   LIG    1       -0.795   1.030   0.933  0.00  0.00    -0.325 N 
ATOM     12  F   LIG    1       -2.823   2.135  -1.700  0.00  0.00    -0.203 F 
ATOM     13  C   LIG    1       -1.987   1.232   1.578  0.00  0.00    +0.126 A 
ATOM     14  N   LIG    1       -2.232   1.057   2.888  0.00  0.00    -0.332 N 
ATOM     15  H   LIG    1       -1.551   0.668   3.542  0.00  0.00    +0.168 HD
ATOM     16  C   LIG    1       -3.501   1.344   3.319  0.00  0.00    +0.200 A 
ATOM     17  N   LIG    1       -4.494   1.748   2.592  0.00  0.00    -0.216 NA
BRANCH   6  18
ATOM     18  N   LIG    1       -5.329   2.342  -0.803  0.00  0.00    -0.281 N 
ATOM     19  H   LIG    1       -6.209   2.732  -1.144  0.00  0.00    +0.164 HD
ATOM     20  H   LIG    1       -4.588   2.976  -1.109  0.00  0.00    +0.164 HD
ENDBRANCH   6  18
ENDBRANCH   1  11
BRANCH   2  21
ATOM     21  O   LIG    1       -0.149  -0.765   3.573  0.00  0.00    -0.387 OA
ATOM     22  H   LIG    1       -0.316  -1.688   3.849  0.00  0.00    +0.210 HD
ENDBRANCH   2  21
BRANCH   3  23
ATOM     23  O   LIG    1        2.507  -0.933   3.090  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1        1.976  -0.872   3.907  0.00  0.00    +0.210 HD
ENDBRANCH   3  23
BRANCH   4  25
ATOM     25  C   LIG    1        1.504  -1.756  -0.467  0.00  0.00    +0.150 C 
BRANCH  25  26
ATOM     26  C   LIG    1        2.026  -1.363  -1.836  0.00  0.00    -0.019 A 
ATOM     27  C   LIG    1        3.397  -1.405  -2.135  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1        3.861  -1.056  -3.406  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        2.956  -0.671  -4.391  0.00  0.00    +0.041 A 
ATOM     30 CL   LIG    1        3.526  -0.246  -5.957  0.00  0.00    -0.084 Cl
ATOM     31  C   LIG    1        1.591  -0.634  -4.117  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1        1.127  -0.983  -2.846  0.00  0.00    +0.007 A 
ENDBRANCH  25  26
BRANCH  25  33
ATOM     33  O   LIG    1        1.739  -3.150  -0.267  0.00  0.00    -0.387 OA
ATOM     34  H   LIG    1        1.853  -3.565  -1.141  0.00  0.00    +0.210 HD
ENDBRANCH  25  33
ENDBRANCH   4  25
TORSDOF 7