REMARK  Name = BDB036007
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.510   0.179  -0.595  0.00  0.00    -0.032 A 
ATOM      2  C   LIG    1       -0.248   0.016   0.016  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1        0.950   0.380  -0.621  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1        0.867   0.905  -1.918  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1       -0.366   1.072  -2.550  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.540   0.713  -1.895  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1        2.214   0.220   0.014  0.00  0.00    -0.263 N 
ATOM      8  C   LIG    1        2.441  -0.211   1.326  0.00  0.00    +0.251 C 
ATOM      9  O   LIG    1        1.668  -0.512   2.217  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        3.896  -0.243   1.521  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1        4.611  -0.611   2.645  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        6.002  -0.552   2.572  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        6.640  -0.131   1.390  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        5.898   0.242   0.252  0.00  0.00    +0.060 A 
ATOM     15  C   LIG    1        4.510   0.175   0.346  0.00  0.00    -0.006 A 
ATOM     16  C   LIG    1        3.467   0.503  -0.674  0.00  0.00    +0.150 C 
BRANCH  14  17
ATOM     17  C   LIG    1        6.568   0.694  -1.017  0.00  0.00    +0.418 C 
ATOM     18  F   LIG    1        6.268  -0.113  -2.071  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        7.925   0.732  -0.942  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        6.175   1.945  -1.387  0.00  0.00    -0.166 F 
ENDBRANCH  14  17
ENDBRANCH   3   7
BRANCH   1  21
ATOM     21  C   LIG    1       -2.830  -0.226   0.104  0.00  0.00    +0.055 C 
ATOM     22  C   LIG    1       -2.666  -0.647   1.587  0.00  0.00    +0.024 C 
BRANCH  21  25
ATOM     23  C   LIG    1       -2.433   2.859   0.893  0.00  0.00    +0.151 C 
ATOM     24  N   LIG    1       -3.639   2.222   0.433  0.00  0.00    -0.320 N 
ATOM     25  C   LIG    1       -3.853   0.910   0.072  0.00  0.00    +0.144 A 
ATOM     26  N   LIG    1       -5.117   0.795  -0.298  0.00  0.00    -0.134 NA
ATOM     27  N   LIG    1       -5.724   2.019  -0.191  0.00  0.00    -0.138 NA
ATOM     28  C   LIG    1       -4.826   2.865   0.249  0.00  0.00    +0.224 A 
ENDBRANCH  21  25
BRANCH  21  29
ATOM     29  C   LIG    1       -3.393  -1.432  -0.715  0.00  0.00    +0.007 C 
ATOM     30  C   LIG    1       -2.556  -2.745  -0.845  0.00  0.00    +0.005 C 
ATOM     31  C   LIG    1       -3.896  -3.501  -0.957  0.00  0.00    +0.001 C 
ATOM     32  C   LIG    1       -4.534  -2.345  -0.159  0.00  0.00    +0.005 C 
ENDBRANCH  21  29
ENDBRANCH   1  21
TORSDOF 5