REMARK  Name = BDB006716
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.306   2.268  -1.763  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1       -2.953   0.912  -1.282  0.00  0.00    +0.066 A 
ATOM      3  C   LIG    1       -1.697   0.403  -0.933  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1       -0.261   0.729  -0.838  0.00  0.00    +0.149 C 
ATOM      5  N   LIG    1        0.303  -0.596  -0.397  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1       -0.730  -1.571  -0.220  0.00  0.00    +0.270 C 
ATOM      7  O   LIG    1       -0.648  -2.733   0.136  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -1.917  -0.890  -0.573  0.00  0.00    +0.130 A 
ATOM      9  N   LIG    1       -3.236  -1.120  -0.677  0.00  0.00    -0.256 N 
ATOM     10  N   LIG    1       -3.906  -0.029  -1.121  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        1.672  -0.827  -0.231  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1        2.177  -1.979   0.251  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1        3.537  -2.191   0.427  0.00  0.00    -0.316 N 
ATOM     14  C   LIG    1        3.967  -3.473   0.966  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1        4.492  -1.226   0.129  0.00  0.00    +0.254 A 
ATOM     16  O   LIG    1        5.700  -1.370   0.290  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1        3.958   0.056  -0.428  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1        4.967   1.101  -0.787  0.00  0.00    +0.049 C 
ATOM     19  C   LIG    1        2.633   0.209  -0.587  0.00  0.00    +0.033 A 
ENDBRANCH   5  11
BRANCH   4  20
ATOM     20  C   LIG    1       -0.162   1.838   0.184  0.00  0.00    +0.013 A 
ATOM     21  C   LIG    1       -0.008   3.156  -0.265  0.00  0.00    +0.130 A 
ATOM     22  F   LIG    1        0.057   3.400  -1.581  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1        0.082   4.229   0.616  0.00  0.00    +0.058 A 
ATOM     24  C   LIG    1        0.015   3.989   1.983  0.00  0.00    +0.044 A 
ATOM     25 CL   LIG    1        0.125   5.303   3.087  0.00  0.00    -0.083 Cl
ATOM     26  C   LIG    1       -0.140   2.690   2.465  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -0.230   1.619   1.571  0.00  0.00    +0.010 A 
ENDBRANCH   4  20
BRANCH   9  28
ATOM     28  C   LIG    1       -3.900  -2.402  -0.384  0.00  0.00    +0.108 C 
ATOM     29  C   LIG    1       -5.220  -2.477   0.348  0.00  0.00    +0.029 C 
ATOM     30  C   LIG    1       -3.971  -2.967   1.016  0.00  0.00    +0.029 C 
ENDBRANCH   9  28
TORSDOF 3