REMARK  Name = BDB042827
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.016  -0.789   0.543  0.00  0.00    +0.087 C 
ATOM      2  C   LIG    1        0.747   0.140  -0.444  0.00  0.00    +0.091 C 
ATOM      3  C   LIG    1        2.272  -0.080  -0.332  0.00  0.00    +0.055 C 
ATOM      4  N   LIG    1        3.072   0.878  -0.647  0.00  0.00    -0.279 NA
ATOM      5  C   LIG    1        4.527   0.755  -0.603  0.00  0.00    +0.221 C 
ATOM      6  C   LIG    1        5.061  -0.610  -0.253  0.00  0.00    +0.185 C 
ATOM      7  C   LIG    1        4.109  -1.677   0.085  0.00  0.00    +0.033 A 
ATOM      8  C   LIG    1        4.577  -2.952   0.409  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1        3.660  -3.949   0.701  0.00  0.00    +0.126 A 
ATOM     10  F   LIG    1        4.093  -5.182   0.992  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1        2.292  -3.689   0.694  0.00  0.00    +0.062 A 
ATOM     12  C   LIG    1        1.816  -2.402   0.416  0.00  0.00    +0.040 A 
ATOM     13  O   LIG    1        6.267  -0.850  -0.227  0.00  0.00    -0.290 OA
ATOM     14  C   LIG    1        2.743  -1.411   0.073  0.00  0.00    +0.028 A 
ATOM     15  N   LIG    1        0.434  -2.187   0.357  0.00  0.00    -0.339 N 
ATOM     16  H   LIG    1       -0.079  -2.853   0.934  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   2  17
ATOM     17  C   LIG    1        0.408   1.619  -0.298  0.00  0.00    -0.001 A 
ATOM     18  C   LIG    1       -0.057   2.342  -1.406  0.00  0.00    +0.130 A 
ATOM     19  F   LIG    1       -0.245   1.720  -2.579  0.00  0.00    -0.205 F 
ATOM     20  C   LIG    1       -0.345   3.699  -1.324  0.00  0.00    +0.077 A 
ATOM     21  C   LIG    1       -0.153   4.353  -0.117  0.00  0.00    +0.126 A 
ATOM     22  F   LIG    1       -0.428   5.660  -0.023  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1        0.327   3.675   0.998  0.00  0.00    +0.039 A 
ATOM     24  C   LIG    1        0.615   2.311   0.908  0.00  0.00    +0.010 A 
ENDBRANCH   2  17
BRANCH   1  29
ATOM     25  C   LIG    1       -5.461   0.131   0.218  0.00  0.00    +0.104 C 
ATOM     26  N   LIG    1       -4.186   0.334  -0.464  0.00  0.00    -0.305 NA
ATOM     27  C   LIG    1       -3.244   1.127   0.327  0.00  0.00    +0.084 C 
ATOM     28  C   LIG    1       -2.305   0.300   1.205  0.00  0.00    +0.021 C 
ATOM     29  C   LIG    1       -1.576  -0.820   0.434  0.00  0.00    +0.013 C 
ATOM     30  C   LIG    1       -2.116  -0.965  -0.999  0.00  0.00    +0.021 C 
ATOM     31  C   LIG    1       -3.646  -0.931  -0.975  0.00  0.00    +0.084 C 
ENDBRANCH   1  29
TORSDOF 2