REMARK  Name = BDB052914
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.843   2.238  -3.203  0.00  0.00    +0.062 C 
ATOM      2  C   LIG    1       -0.077   1.625  -2.173  0.00  0.00    +0.034 C 
ATOM      3  C   LIG    1        0.570   0.977  -0.964  0.00  0.00    +0.150 C 
ATOM      4  C   LIG    1       -0.419   0.829   0.194  0.00  0.00    +0.174 C 
ATOM      5  N   LIG    1       -1.783   0.679  -0.269  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -2.197   1.110  -1.506  0.00  0.00    +0.232 A 
ATOM      7  N   LIG    1       -3.485   0.883  -1.647  0.00  0.00    -0.211 NA
ATOM      8  C   LIG    1       -3.897   0.264  -0.494  0.00  0.00    +0.091 A 
ATOM      9  C   LIG    1       -5.170  -0.203  -0.136  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1       -5.338  -0.802   1.118  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -4.262  -0.932   1.998  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -2.984  -0.472   1.659  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1       -2.840   0.119   0.398  0.00  0.00    +0.071 A 
ATOM     14  N   LIG    1       -1.354   1.693  -2.388  0.00  0.00    -0.221 NA
ENDROOT
BRANCH   4  15
ATOM     15  C   LIG    1       -0.299   1.995   1.128  0.00  0.00    +0.129 A 
ATOM     16  O   LIG    1        0.768   1.950   1.982  0.00  0.00    -0.466 OA
ATOM     17  C   LIG    1        0.720   3.078   2.736  0.00  0.00    +0.195 A 
ATOM     18  C   LIG    1       -0.354   3.855   2.373  0.00  0.00    +0.041 A 
ATOM     19  C   LIG    1       -1.012   3.160   1.330  0.00  0.00    +0.047 A 
ENDBRANCH   4  15
BRANCH   3  20
ATOM     20  C   LIG    1        1.192  -0.372  -1.268  0.00  0.00    +0.228 C 
ATOM     21  N   LIG    1        2.129  -0.753  -0.316  0.00  0.00    -0.285 N 
ATOM     22  H   LIG    1        2.338  -0.094   0.428  0.00  0.00    +0.155 HD
ATOM     23  O   LIG    1        0.872  -1.014  -2.261  0.00  0.00    -0.275 OA
BRANCH  21  24
ATOM     24  C   LIG    1        2.865  -1.956  -0.273  0.00  0.00    +0.034 A 
ATOM     25  C   LIG    1        2.725  -2.995  -1.199  0.00  0.00    +0.026 A 
ATOM     26  C   LIG    1        3.494  -4.158  -1.079  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1        4.399  -4.282  -0.035  0.00  0.00    +0.124 A 
ATOM     28  F   LIG    1        5.133  -5.397   0.078  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1        4.551  -3.265   0.896  0.00  0.00    +0.040 A 
ATOM     30  C   LIG    1        3.784  -2.103   0.778  0.00  0.00    +0.026 A 
ENDBRANCH  21  24
ENDBRANCH   3  20
TORSDOF 3