REMARK  Name = BDB022039
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.274  -1.179  -2.739  0.00  0.00    +0.078 C 
ATOM      2  C   LIG    1       -0.503   0.091  -3.108  0.00  0.00    +0.032 C 
ATOM      3  C   LIG    1        0.620   0.422  -2.128  0.00  0.00    +0.109 C 
ATOM      4  N   LIG    1        1.337  -0.766  -1.647  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1        2.563  -0.652  -0.971  0.00  0.00    +0.247 C 
ATOM      6  O   LIG    1        3.399  -1.552  -0.912  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1        1.121  -1.999  -2.398  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1       -0.356  -2.378  -2.458  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        2.888   0.616  -0.283  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1        2.073   1.097   0.743  0.00  0.00    +0.051 A 
ATOM     11  C   LIG    1        2.447   2.252   1.418  0.00  0.00    +0.124 A 
ATOM     12  F   LIG    1        1.687   2.708   2.424  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        3.612   2.934   1.081  0.00  0.00    +0.038 A 
ATOM     14  C   LIG    1        4.434   2.443   0.066  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        4.081   1.272  -0.607  0.00  0.00    +0.013 A 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     16  N   LIG    1       -1.698  -0.807  -0.351  0.00  0.00    -0.285 N 
ATOM     17  H   LIG    1       -0.710  -1.032  -0.279  0.00  0.00    +0.155 HD
ATOM     18  C   LIG    1       -2.266  -0.894  -1.607  0.00  0.00    +0.220 C 
ATOM     19  O   LIG    1       -3.451  -0.720  -1.880  0.00  0.00    -0.275 OA
BRANCH  16  23
ATOM     20  C   LIG    1       -1.242  -0.108   4.512  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1       -2.094  -0.141   3.273  0.00  0.00    -0.049 A 
ATOM     22  C   LIG    1       -1.554  -0.498   2.029  0.00  0.00    +0.026 A 
ATOM     23  C   LIG    1       -2.337  -0.472   0.863  0.00  0.00    +0.034 A 
ATOM     24  C   LIG    1       -3.679  -0.099   0.960  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1       -4.226   0.256   2.196  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -3.437   0.244   3.345  0.00  0.00    +0.003 A 
ENDBRANCH  16  23
ENDBRANCH   1  18
TORSDOF 3