REMARK  Name = BDB058086
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.040  -0.665   0.319  0.00  0.00    +0.132 C 
ATOM      2  C   LIG    1        1.336  -0.640  -0.545  0.00  0.00    +0.060 C 
ATOM      3  C   LIG    1        2.121   0.661  -0.459  0.00  0.00    +0.038 C 
ATOM      4  C   LIG    1        2.185   1.551  -1.696  0.00  0.00    +0.016 C 
ATOM      5  C   LIG    1        3.370   0.713  -1.340  0.00  0.00    +0.016 C 
ATOM      6  C   LIG    1        2.210   1.335   0.888  0.00  0.00    +0.179 C 
ATOM      7  O   LIG    1        3.091   2.151   1.127  0.00  0.00    -0.291 OA
ATOM      8  C   LIG    1        1.188   0.966   1.899  0.00  0.00    +0.094 C 
ATOM      9  C   LIG    1        0.220   0.073   1.627  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -1.149  -0.009  -0.443  0.00  0.00    +0.086 A 
ATOM     11  C   LIG    1       -2.501  -0.374  -0.263  0.00  0.00    +0.045 A 
ATOM     12  C   LIG    1       -3.482   0.325  -0.995  0.00  0.00    +0.051 A 
ATOM     13  C   LIG    1       -3.118   1.355  -1.842  0.00  0.00    +0.142 A 
ATOM     14  F   LIG    1       -4.044   2.025  -2.536  0.00  0.00    -0.204 F 
ATOM     15  C   LIG    1       -1.786   1.676  -1.946  0.00  0.00    +0.149 A 
ATOM     16  N   LIG    1       -0.811   1.027  -1.268  0.00  0.00    -0.253 NA
BRANCH  11  17
ATOM     17  C   LIG    1       -2.958  -1.464   0.674  0.00  0.00    +0.373 C 
ATOM     18  F   LIG    1       -4.321  -1.539   0.770  0.00  0.00    -0.204 F 
ATOM     19  F   LIG    1       -2.534  -1.273   1.954  0.00  0.00    -0.204 F 
ENDBRANCH  11  17
ENDBRANCH   1  10
BRANCH   1  21
ATOM     20  C   LIG    1        0.594  -2.855   1.290  0.00  0.00    +0.195 C 
ATOM     21  O   LIG    1       -0.326  -2.035   0.581  0.00  0.00    -0.366 OA
ENDBRANCH   1  21
BRANCH   8  22
ATOM     22  C   LIG    1        1.249   1.594   3.175  0.00  0.00    +0.102 C 
ATOM     23  N   LIG    1        1.250   2.063   4.237  0.00  0.00    -0.191 NA
ENDBRANCH   8  22
TORSDOF 4