REMARK  Name = BDB058672
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.757  -3.160  -2.089  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1        3.124  -1.956  -1.284  0.00  0.00    +0.069 C 
ATOM      3  C   LIG    1        2.170  -0.910  -0.866  0.00  0.00    +0.065 C 
ATOM      4  C   LIG    1        0.866  -0.950  -1.163  0.00  0.00    +0.061 C 
ATOM      5  C   LIG    1        3.001   0.047  -0.091  0.00  0.00    +0.272 C 
ATOM      6  O   LIG    1        2.618   1.060   0.463  0.00  0.00    -0.268 OA
ATOM      7  N   LIG    1        4.285  -0.523  -0.162  0.00  0.00    -0.156 N 
ATOM      8  N   LIG    1        4.339  -1.716  -0.874  0.00  0.00    -0.177 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        5.487  -0.032   0.409  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1        5.525   1.157   1.150  0.00  0.00    +0.067 A 
ATOM     11  C   LIG    1        6.727   1.607   1.694  0.00  0.00    +0.169 A 
ATOM     12  F   LIG    1        6.747   2.747   2.401  0.00  0.00    -0.201 F 
ATOM     13  C   LIG    1        7.908   0.899   1.519  0.00  0.00    +0.188 A 
ATOM     14  C   LIG    1        7.881  -0.278   0.788  0.00  0.00    +0.169 A 
ATOM     15  F   LIG    1        9.004  -0.987   0.600  0.00  0.00    -0.201 F 
ATOM     16  C   LIG    1        6.688  -0.744   0.237  0.00  0.00    +0.067 A 
BRANCH  13  17
ATOM     17  O   LIG    1        9.079   1.352   2.058  0.00  0.00    -0.502 OA
ATOM     18  H   LIG    1        8.880   2.183   2.529  0.00  0.00    +0.292 HD
ENDBRANCH  13  17
ENDBRANCH   7   9
BRANCH   4  19
ATOM     19  C   LIG    1       -0.113   0.014  -0.804  0.00  0.00    +0.129 A 
ATOM     20  O   LIG    1       -1.416  -0.371  -0.570  0.00  0.00    -0.455 OA
ATOM     21  C   LIG    1       -2.165   0.726  -0.289  0.00  0.00    +0.136 A 
ATOM     22  C   LIG    1       -1.370   1.846  -0.330  0.00  0.00    +0.050 A 
ATOM     23  C   LIG    1       -0.073   1.397  -0.679  0.00  0.00    +0.050 A 
BRANCH  21  24
ATOM     24  C   LIG    1       -3.571   0.484   0.016  0.00  0.00    +0.029 A 
ATOM     25  C   LIG    1       -4.364  -0.437  -0.691  0.00  0.00    +0.066 A 
ATOM     26  C   LIG    1       -5.708  -0.621  -0.300  0.00  0.00    +0.016 A 
ATOM     27  C   LIG    1       -6.280   0.101   0.758  0.00  0.00    -0.047 A 
ATOM     28  C   LIG    1       -7.721  -0.136   1.120  0.00  0.00    +0.044 C 
ATOM     29  C   LIG    1       -5.495   1.039   1.445  0.00  0.00    -0.047 A 
ATOM     30  C   LIG    1       -6.051   1.844   2.589  0.00  0.00    +0.044 C 
ATOM     31  C   LIG    1       -4.154   1.214   1.069  0.00  0.00    +0.015 A 
BRANCH  25  32
ATOM     32  C   LIG    1       -3.835  -1.238  -1.860  0.00  0.00    +0.418 C 
ATOM     33  F   LIG    1       -3.119  -0.503  -2.758  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1       -3.042  -2.282  -1.488  0.00  0.00    -0.166 F 
ATOM     35  F   LIG    1       -4.835  -1.806  -2.602  0.00  0.00    -0.166 F 
ENDBRANCH  25  32
ENDBRANCH  21  24
ENDBRANCH   4  19
TORSDOF 5