REMARK  Name = BDB006707
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.794  -2.320  -0.320  0.00  0.00    -0.259 N 
ATOM      2  C   LIG    1       -1.630  -1.648  -0.363  0.00  0.00    +0.129 A 
ATOM      3  C   LIG    1       -0.254  -1.861  -0.103  0.00  0.00    +0.270 C 
ATOM      4  N   LIG    1        0.367  -0.616  -0.427  0.00  0.00    -0.253 N 
ATOM      5  C   LIG    1       -0.649   0.406  -0.866  0.00  0.00    +0.149 C 
ATOM      6  O   LIG    1        0.238  -2.901   0.300  0.00  0.00    -0.268 OA
ATOM      7  C   LIG    1       -1.893  -0.387  -0.795  0.00  0.00    +0.031 A 
ATOM      8  C   LIG    1       -3.272  -0.349  -1.024  0.00  0.00    +0.066 A 
ATOM      9  C   LIG    1       -4.104   0.775  -1.512  0.00  0.00    +0.068 C 
ATOM     10  N   LIG    1       -3.833  -1.539  -0.722  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        1.740  -0.363  -0.393  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1        2.644  -1.239   0.086  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1        4.005  -0.971   0.132  0.00  0.00    -0.316 N 
ATOM     14  C   LIG    1        4.887  -1.989   0.682  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1        4.547   0.232  -0.306  0.00  0.00    +0.254 A 
ATOM     16  O   LIG    1        5.742   0.513  -0.263  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1        3.567   1.215  -0.863  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1        4.128   2.505  -1.372  0.00  0.00    +0.049 C 
ATOM     19  C   LIG    1        2.260   0.904  -0.893  0.00  0.00    +0.033 A 
ENDBRANCH   4  11
BRANCH   5  20
ATOM     20  C   LIG    1       -0.847   1.561   0.090  0.00  0.00    +0.013 A 
ATOM     21  C   LIG    1       -1.171   2.820  -0.431  0.00  0.00    +0.130 A 
ATOM     22  F   LIG    1       -1.287   2.974  -1.758  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1       -1.374   3.926   0.387  0.00  0.00    +0.058 A 
ATOM     24  C   LIG    1       -1.256   3.780   1.764  0.00  0.00    +0.044 A 
ATOM     25 CL   LIG    1       -1.503   5.136   2.791  0.00  0.00    -0.083 Cl
ATOM     26  C   LIG    1       -0.937   2.541   2.318  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -0.735   1.435   1.486  0.00  0.00    +0.010 A 
ENDBRANCH   5  20
BRANCH   1  29
ATOM     28  C   LIG    1       -3.278  -3.821   1.568  0.00  0.00    +0.029 C 
ATOM     29  C   LIG    1       -3.018  -3.694   0.078  0.00  0.00    +0.141 C 
ENDBRANCH   1  29
TORSDOF 3