REMARK  Name = BDB017211
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.633  -1.884   1.644  0.00  0.00    -0.292 OA
ATOM      2  C   LIG    1        1.355  -1.288   0.608  0.00  0.00    +0.168 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1        2.428  -0.588  -0.139  0.00  0.00    +0.026 A 
ATOM      4  C   LIG    1        3.152   0.483   0.449  0.00  0.00    -0.005 A 
ATOM      5  C   LIG    1        4.151   1.115  -0.333  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1        4.884   2.189   0.204  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        4.645   2.647   1.498  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        3.671   2.036   2.277  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        4.394   0.658  -1.638  0.00  0.00    +0.131 A 
ATOM     10  F   LIG    1        5.338   1.246  -2.391  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1        3.681  -0.401  -2.193  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        2.933   0.968   1.760  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        2.694  -1.029  -1.444  0.00  0.00    +0.015 A 
ENDBRANCH   2   3
BRANCH   2  14
ATOM     14  C   LIG    1       -0.054  -1.202   0.044  0.00  0.00    +0.074 C 
ATOM     15  C   LIG    1       -0.920  -0.374   1.003  0.00  0.00    +0.095 C 
ATOM     16  N   LIG    1       -2.327  -0.266   0.581  0.00  0.00    -0.301 NA
ATOM     17  C   LIG    1       -2.910  -1.604   0.394  0.00  0.00    +0.084 C 
ATOM     18  C   LIG    1       -2.112  -2.517  -0.544  0.00  0.00    +0.016 C 
ATOM     19  C   LIG    1       -0.645  -2.602  -0.134  0.00  0.00    +0.014 C 
BRANCH  16  20
ATOM     20  C   LIG    1       -2.509   0.616  -0.575  0.00  0.00    +0.088 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.729   1.491  -0.469  0.00  0.00    +0.003 C 
ATOM     22  C   LIG    1       -4.881   1.258   0.484  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -5.065   1.004  -0.984  0.00  0.00    +0.005 C 
ENDBRANCH  20  21
ENDBRANCH  16  20
ENDBRANCH   2  14
TORSDOF 4