REMARK  Name = BDB042747
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.038   0.566  -0.435  0.00  0.00    +0.074 C 
ATOM      2  C   LIG    1        1.050  -0.575  -0.230  0.00  0.00    +0.077 A 
ATOM      3  C   LIG    1        2.474  -0.203  -0.143  0.00  0.00    +0.032 A 
ATOM      4  C   LIG    1        3.425  -1.216  -0.105  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        2.965  -2.610  -0.074  0.00  0.00    +0.273 A 
ATOM      6  N   LIG    1        1.604  -2.793  -0.075  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1        1.258  -3.747  -0.075  0.00  0.00    +0.192 HD
ATOM      8  O   LIG    1        3.763  -3.540  -0.035  0.00  0.00    -0.266 OA
ATOM      9  C   LIG    1        4.785  -0.906  -0.081  0.00  0.00    +0.052 A 
ATOM     10  C   LIG    1        5.162   0.429  -0.100  0.00  0.00    +0.126 A 
ATOM     11  F   LIG    1        6.463   0.746  -0.098  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1        4.212   1.450  -0.116  0.00  0.00    +0.062 A 
ATOM     13  C   LIG    1        2.848   1.145  -0.093  0.00  0.00    +0.040 A 
ATOM     14  N   LIG    1        1.899   2.176  -0.144  0.00  0.00    -0.343 N 
ATOM     15  H   LIG    1        2.238   3.041   0.274  0.00  0.00    +0.146 HD
ATOM     16  N   LIG    1        0.662  -1.815  -0.187  0.00  0.00    -0.175 NA
ATOM     17  C   LIG    1        0.571   1.785   0.336  0.00  0.00    +0.112 C 
ENDROOT
BRANCH   1  20
ATOM     18  C   LIG    1       -2.238  -0.439  -2.272  0.00  0.00    +0.105 C 
ATOM     19  N   LIG    1       -2.075  -0.822  -0.873  0.00  0.00    -0.302 NA
ATOM     20  C   LIG    1       -1.420   0.186  -0.009  0.00  0.00    +0.067 C 
ATOM     21  C   LIG    1       -2.349   1.414   0.170  0.00  0.00    +0.019 C 
ATOM     22  C   LIG    1       -3.828   1.049   0.343  0.00  0.00    +0.003 C 
ATOM     23  C   LIG    1       -3.993  -0.411   0.732  0.00  0.00    +0.015 C 
ATOM     24  C   LIG    1       -3.330  -1.332  -0.298  0.00  0.00    +0.084 C 
ENDBRANCH   1  20
TORSDOF 1