REMARK  Name = BDB006690
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.869   3.195   1.269  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1        2.717   1.780   0.857  0.00  0.00    +0.067 A 
ATOM      3  C   LIG    1        1.552   1.042   0.662  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1        0.081   1.127   0.707  0.00  0.00    +0.146 C 
ATOM      5  N   LIG    1       -0.301  -0.251   0.252  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1        0.856  -1.038  -0.044  0.00  0.00    +0.271 C 
ATOM      7  O   LIG    1        0.918  -2.183  -0.456  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        1.958  -0.194   0.260  0.00  0.00    +0.140 A 
ATOM      9  N   LIG    1        3.323  -0.215   0.225  0.00  0.00    -0.178 N 
ATOM     10  C   LIG    1        4.244  -1.232  -0.137  0.00  0.00    +0.338 C 
ATOM     11  N   LIG    1        3.780  -2.539   0.034  0.00  0.00    -0.288 N 
ATOM     12  C   LIG    1        4.508  -3.562  -0.693  0.00  0.00    +0.133 C 
ATOM     13  C   LIG    1        3.257  -2.967   1.326  0.00  0.00    +0.133 C 
ATOM     14  O   LIG    1        5.335  -0.928  -0.607  0.00  0.00    -0.248 OA
ATOM     15  N   LIG    1        3.799   1.036   0.574  0.00  0.00    -0.167 NA
ENDROOT
BRANCH   5  16
ATOM     16  C   LIG    1       -1.633  -0.675   0.190  0.00  0.00    +0.054 A 
ATOM     17  C   LIG    1       -2.658   0.096   0.608  0.00  0.00    +0.112 A 
ATOM     18  N   LIG    1       -3.982  -0.313   0.561  0.00  0.00    -0.316 N 
ATOM     19  C   LIG    1       -5.008   0.604   1.037  0.00  0.00    +0.152 C 
ATOM     20  C   LIG    1       -4.363  -1.563   0.082  0.00  0.00    +0.254 A 
ATOM     21  O   LIG    1       -5.523  -1.964   0.041  0.00  0.00    -0.267 OA
ATOM     22  C   LIG    1       -3.249  -2.432  -0.403  0.00  0.00    +0.016 A 
ATOM     23  C   LIG    1       -3.631  -3.770  -0.950  0.00  0.00    +0.049 C 
ATOM     24  C   LIG    1       -1.983  -1.984  -0.339  0.00  0.00    +0.033 A 
ENDBRANCH   5  16
BRANCH   4  25
ATOM     25  C   LIG    1       -0.303   2.253  -0.234  0.00  0.00    -0.022 A 
ATOM     26  C   LIG    1       -0.671   3.502   0.303  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1       -1.028   4.563  -0.532  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -1.020   4.391  -1.914  0.00  0.00    +0.041 A 
ATOM     29 CL   LIG    1       -1.462   5.698  -2.940  0.00  0.00    -0.084 Cl
ATOM     30  C   LIG    1       -0.657   3.167  -2.467  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -0.299   2.104  -1.633  0.00  0.00    +0.007 A 
ENDBRANCH   4  25
TORSDOF 2