REMARK  Name = BDB001552
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.421  -0.647  -2.808  0.00  0.00    +0.051 C 
ATOM      2  C   LIG    1        1.113  -0.295  -1.524  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        2.588  -0.475  -1.526  0.00  0.00    +0.196 A 
ATOM      4  O   LIG    1        3.191  -0.892  -2.507  0.00  0.00    -0.287 OA
ATOM      5  C   LIG    1        3.308  -0.137  -0.290  0.00  0.00    +0.067 A 
ATOM      6  C   LIG    1        2.579   0.305   0.809  0.00  0.00    +0.140 A 
ATOM      7  C   LIG    1        3.233   0.631   1.999  0.00  0.00    +0.050 A 
ATOM      8  C   LIG    1        4.621   0.509   2.079  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1        5.339   0.064   0.973  0.00  0.00    +0.124 A 
ATOM     10  F   LIG    1        6.670  -0.051   1.057  0.00  0.00    -0.205 F 
ATOM     11  O   LIG    1        1.218   0.440   0.787  0.00  0.00    -0.453 OA
ATOM     12  C   LIG    1        4.698  -0.262  -0.216  0.00  0.00    +0.053 A 
ATOM     13  C   LIG    1        0.543   0.142  -0.385  0.00  0.00    +0.163 A 
ENDROOT
BRANCH  13  14
ATOM     14  C   LIG    1       -0.932   0.379  -0.348  0.00  0.00    +0.135 A 
ATOM     15  C   LIG    1       -1.742  -0.442   0.578  0.00  0.00    +0.018 A 
ATOM     16  C   LIG    1       -3.100  -0.147   0.656  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1       -3.935  -0.877   1.514  0.00  0.00    +0.014 A 
ATOM     18  C   LIG    1       -3.409  -1.911   2.288  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -2.053  -2.219   2.202  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -3.665   0.927  -0.182  0.00  0.00    +0.275 A 
ATOM     21  O   LIG    1       -4.857   1.205  -0.081  0.00  0.00    -0.266 OA
ATOM     22  N   LIG    1       -2.784   1.557  -1.055  0.00  0.00    -0.231 N 
ATOM     23  C   LIG    1       -3.254   2.641  -1.899  0.00  0.00    +0.176 C 
ATOM     24  C   LIG    1       -1.219  -1.491   1.349  0.00  0.00    +0.011 A 
ATOM     25  N   LIG    1       -1.436   1.309  -1.105  0.00  0.00    -0.165 NA
ENDBRANCH  13  14
TORSDOF 1