REMARK  Name = BDB040123
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.157  -0.973   0.317  0.00  0.00    -0.033 A 
ATOM      2  C   LIG    1        0.102  -0.407  -0.001  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1        1.302  -0.794   0.617  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1        1.230  -1.780   1.608  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1        0.010  -2.357   1.959  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.163  -1.958   1.321  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1        2.550  -0.211   0.262  0.00  0.00    -0.263 N 
ATOM      8  C   LIG    1        2.775   0.725  -0.753  0.00  0.00    +0.251 C 
ATOM      9  O   LIG    1        2.019   1.233  -1.560  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        4.208   1.045  -0.730  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1        4.912   1.923  -1.533  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        6.282   2.047  -1.306  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        6.910   1.299  -0.292  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        6.181   0.408   0.517  0.00  0.00    +0.060 A 
ATOM     15  C   LIG    1        4.814   0.299   0.275  0.00  0.00    -0.006 A 
ATOM     16  C   LIG    1        3.787  -0.549   0.953  0.00  0.00    +0.150 C 
BRANCH  14  17
ATOM     17  C   LIG    1        6.841  -0.397   1.604  0.00  0.00    +0.418 C 
ATOM     18  F   LIG    1        6.326  -0.120   2.834  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        6.670  -1.736   1.427  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        8.182  -0.197   1.702  0.00  0.00    -0.166 F 
ENDBRANCH  14  17
ENDBRANCH   3   7
BRANCH   1  21
ATOM     21  C   LIG    1       -2.533  -0.491  -0.432  0.00  0.00    +0.077 C 
ATOM     22  C   LIG    1       -2.378  -0.184  -1.966  0.00  0.00    +0.093 C 
ATOM     23  C   LIG    1       -3.607  -1.060  -2.264  0.00  0.00    +0.251 C 
ATOM     24  F   LIG    1       -4.777  -0.419  -2.468  0.00  0.00    -0.206 F 
ATOM     25  F   LIG    1       -3.467  -1.931  -3.289  0.00  0.00    -0.206 F 
ATOM     26  C   LIG    1       -3.461  -1.681  -0.865  0.00  0.00    +0.093 C 
BRANCH  21  27
ATOM     27  C   LIG    1       -3.230   0.572   0.457  0.00  0.00    +0.317 C 
ATOM     28  F   LIG    1       -3.622  -0.074   1.600  0.00  0.00    -0.196 F 
ATOM     29  F   LIG    1       -2.287   1.469   0.871  0.00  0.00    -0.196 F 
BRANCH  27  32
ATOM     30  C   LIG    1       -6.239   0.457   1.356  0.00  0.00    +0.152 C 
ATOM     31  N   LIG    1       -5.686   1.242   0.284  0.00  0.00    -0.316 N 
ATOM     32  C   LIG    1       -4.380   1.317  -0.133  0.00  0.00    +0.203 A 
ATOM     33  N   LIG    1       -4.317   2.197  -1.118  0.00  0.00    -0.128 NA
ATOM     34  N   LIG    1       -5.581   2.672  -1.361  0.00  0.00    -0.138 NA
ATOM     35  C   LIG    1       -6.392   2.091  -0.512  0.00  0.00    +0.225 A 
ENDBRANCH  27  32
ENDBRANCH  21  27
ENDBRANCH   1  21
TORSDOF 5