REMARK  Name = BDB018560
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.186   1.168  -3.978  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1        3.834   0.858  -3.541  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1        2.888   0.470  -4.488  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1        3.088   0.380  -5.698  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        1.543   0.148  -3.952  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1        1.276   0.226  -2.637  0.00  0.00    -0.002 A 
ATOM      7  C   LIG    1        2.325   0.645  -1.692  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1        3.543   0.935  -2.190  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -0.100  -0.118  -2.233  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -0.484  -1.440  -2.034  0.00  0.00    +0.123 A 
ATOM     11  N   LIG    1       -1.708  -1.819  -1.598  0.00  0.00    -0.221 NA
ATOM     12  C   LIG    1       -2.595  -0.832  -1.355  0.00  0.00    +0.215 A 
ATOM     13  C   LIG    1       -2.333   0.512  -1.568  0.00  0.00    +0.068 A 
ATOM     14  C   LIG    1       -1.057   0.873  -2.004  0.00  0.00    +0.015 A 
BRANCH  12  15
ATOM     15  O   LIG    1       -3.851  -1.157  -0.898  0.00  0.00    -0.473 OA
BRANCH  15  16
ATOM     16  C   LIG    1       -3.852  -2.302  -0.048  0.00  0.00    +0.175 C 
ATOM     17  C   LIG    1       -5.009  -2.191   0.940  0.00  0.00    +0.044 C 
ATOM     18  C   LIG    1       -5.234  -3.619   1.419  0.00  0.00    +0.004 C 
ATOM     19  C   LIG    1       -4.693  -4.525   0.311  0.00  0.00    +0.004 C 
ATOM     20  C   LIG    1       -4.200  -3.593  -0.790  0.00  0.00    +0.044 C 
ENDBRANCH  15  16
ENDBRANCH  12  15
ENDBRANCH   6   9
BRANCH   7  21
ATOM     21  C   LIG    1        2.075   0.738  -0.282  0.00  0.00    +0.022 A 
ATOM     22  C   LIG    1        2.217   1.863   0.501  0.00  0.00    +0.123 A 
ATOM     23  N   LIG    1        1.876   1.504   1.796  0.00  0.00    -0.238 N 
ATOM     24  N   LIG    1        1.515   0.204   1.846  0.00  0.00    -0.174 NA
ATOM     25  C   LIG    1        1.645  -0.257   0.605  0.00  0.00    +0.143 A 
BRANCH  23  26
ATOM     26  C   LIG    1        1.907   2.311   2.980  0.00  0.00    +0.085 A 
ATOM     27  C   LIG    1        1.491   1.817   4.238  0.00  0.00    +0.112 A 
ATOM     28  C   LIG    1        1.608   2.649   5.360  0.00  0.00    +0.143 A 
ATOM     29  F   LIG    1        1.236   2.207   6.570  0.00  0.00    -0.204 F 
ATOM     30  C   LIG    1        2.100   3.946   5.266  0.00  0.00    +0.040 A 
ATOM     31  C   LIG    1        2.487   4.442   4.029  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        2.394   3.633   2.892  0.00  0.00    +0.029 A 
BRANCH  27  33
ATOM     33  C   LIG    1        0.918   0.522   4.482  0.00  0.00    +0.104 C 
ATOM     34  N   LIG    1        0.421  -0.496   4.756  0.00  0.00    -0.191 NA
ENDBRANCH  27  33
ENDBRANCH  23  26
ENDBRANCH   7  21
TORSDOF 6