REMARK  Name = BDB006717
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.313   1.612   2.091  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1        2.870   0.501   1.218  0.00  0.00    +0.066 A 
ATOM      3  C   LIG    1        1.572   0.148   0.837  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1        0.148   0.502   0.996  0.00  0.00    +0.149 C 
ATOM      5  N   LIG    1       -0.509  -0.584   0.186  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1        0.462  -1.449  -0.408  0.00  0.00    +0.270 C 
ATOM      7  O   LIG    1        0.305  -2.417  -1.133  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        1.709  -0.947   0.043  0.00  0.00    +0.130 A 
ATOM      9  N   LIG    1        3.024  -1.221  -0.061  0.00  0.00    -0.256 N 
ATOM     10  N   LIG    1        3.768  -0.333   0.658  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -1.894  -0.728   0.080  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -2.488  -1.637  -0.717  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1       -3.865  -1.760  -0.826  0.00  0.00    -0.316 N 
ATOM     14  C   LIG    1       -4.395  -2.772  -1.729  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1       -4.749  -0.946  -0.127  0.00  0.00    +0.254 A 
ATOM     16  O   LIG    1       -5.972  -1.012  -0.214  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1       -4.116   0.058   0.783  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1       -5.045   0.926   1.572  0.00  0.00    +0.049 C 
ATOM     19  C   LIG    1       -2.776   0.132   0.859  0.00  0.00    +0.033 A 
ENDBRANCH   5  11
BRANCH   4  20
ATOM     20  C   LIG    1        0.008   1.896   0.427  0.00  0.00    +0.013 A 
ATOM     21  C   LIG    1       -0.070   2.980   1.312  0.00  0.00    +0.130 A 
ATOM     22  F   LIG    1       -0.029   2.757   2.633  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1       -0.192   4.290   0.862  0.00  0.00    +0.058 A 
ATOM     24  C   LIG    1       -0.237   4.535  -0.506  0.00  0.00    +0.044 A 
ATOM     25 CL   LIG    1       -0.389   6.148  -1.080  0.00  0.00    -0.083 Cl
ATOM     26  C   LIG    1       -0.160   3.480  -1.414  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -0.036   2.167  -0.952  0.00  0.00    +0.010 A 
ENDBRANCH   4  20
BRANCH   9  28
ATOM     28  C   LIG    1        3.663  -2.296  -0.807  0.00  0.00    +0.102 C 
ATOM     29  C   LIG    1        4.415  -3.249   0.122  0.00  0.00    +0.032 C 
ATOM     30  C   LIG    1        4.577  -1.748  -1.902  0.00  0.00    +0.032 C 
ENDBRANCH   9  28
TORSDOF 3