REMARK  Name = BDB009046
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.570   0.456  -1.208  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.664   1.248  -0.487  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -0.372   1.945  -1.131  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -0.473   1.866  -2.524  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.423   1.082  -3.249  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        1.437   0.377  -2.594  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        3.724  -1.371  -2.116  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        3.559  -1.050  -0.944  0.00  0.00    +0.251 C 
ATOM      9  N   LIG    1        2.569  -0.210  -0.467  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1        2.544  -0.043   0.533  0.00  0.00    +0.155 HD
BRANCH   8  11
ATOM     11  C   LIG    1        4.508  -1.610   0.068  0.00  0.00    +0.075 A 
ATOM     12  C   LIG    1        4.437  -1.312   1.430  0.00  0.00    +0.170 A 
ATOM     13  F   LIG    1        3.487  -0.494   1.911  0.00  0.00    -0.202 F 
ATOM     14  C   LIG    1        5.356  -1.862   2.320  0.00  0.00    +0.159 A 
ATOM     15  F   LIG    1        5.279  -1.567   3.625  0.00  0.00    -0.202 F 
ATOM     16  C   LIG    1        6.361  -2.716   1.877  0.00  0.00    +0.041 A 
ATOM     17  C   LIG    1        6.446  -3.025   0.521  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        5.525  -2.475  -0.377  0.00  0.00    +0.016 A 
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  19
ATOM     19  C   LIG    1       -1.335   2.803  -0.343  0.00  0.00    +0.092 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.974   2.076   0.837  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1       -3.035   1.048   0.591  0.00  0.00    -0.016 A 
ATOM     22  C   LIG    1       -3.518   0.749  -0.801  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1       -4.821  -0.056  -0.829  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -4.782  -1.197   0.180  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -4.566  -0.667   1.599  0.00  0.00    +0.041 C 
ATOM     26  C   LIG    1       -3.525   0.416   1.672  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -3.038   0.773   3.028  0.00  0.00    +0.268 A 
ATOM     28  O   LIG    1       -3.475   0.229   4.037  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1       -2.078   1.746   3.082  0.00  0.00    -0.243 N 
ATOM     30  H   LIG    1       -1.733   2.006   4.000  0.00  0.00    +0.192 HD
ATOM     31  N   LIG    1       -1.535   2.394   2.019  0.00  0.00    -0.175 NA
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 4