REMARK  Name = BDB009047
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.599   0.752  -1.181  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.727   1.355  -0.263  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -0.271   2.251  -0.683  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -0.364   2.566  -2.042  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.500   1.973  -2.961  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        1.474   1.067  -2.533  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        3.685  -0.837  -2.569  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        3.513  -0.862  -1.354  0.00  0.00    +0.251 C 
ATOM      9  N   LIG    1        2.557  -0.144  -0.659  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1        2.528  -0.267   0.348  0.00  0.00    +0.155 HD
BRANCH   8  11
ATOM     11  C   LIG    1        4.410  -1.744  -0.543  0.00  0.00    +0.072 A 
ATOM     12  C   LIG    1        4.313  -1.868   0.848  0.00  0.00    +0.138 A 
ATOM     13  F   LIG    1        3.387  -1.184   1.538  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1        5.170  -2.702   1.562  0.00  0.00    +0.077 A 
ATOM     15  C   LIG    1        6.138  -3.423   0.879  0.00  0.00    +0.126 A 
ATOM     16  F   LIG    1        6.965  -4.226   1.560  0.00  0.00    -0.205 F 
ATOM     17  C   LIG    1        6.263  -3.324  -0.501  0.00  0.00    +0.039 A 
ATOM     18  C   LIG    1        5.400  -2.485  -1.213  0.00  0.00    +0.019 A 
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  19
ATOM     19  C   LIG    1       -1.200   2.899   0.317  0.00  0.00    +0.092 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.875   1.903   1.256  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1       -2.974   1.026   0.743  0.00  0.00    -0.016 A 
ATOM     22  C   LIG    1       -3.461   1.141  -0.675  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1       -4.794   0.426  -0.917  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -4.806  -0.948  -0.260  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -4.581  -0.835   1.249  0.00  0.00    +0.041 C 
ATOM     26  C   LIG    1       -3.497   0.143   1.612  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -3.004   0.092   3.011  0.00  0.00    +0.268 A 
ATOM     28  O   LIG    1       -3.468  -0.689   3.834  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1       -2.005   0.974   3.325  0.00  0.00    -0.243 N 
ATOM     30  H   LIG    1       -1.657   0.958   4.278  0.00  0.00    +0.192 HD
ATOM     31  N   LIG    1       -1.430   1.867   2.478  0.00  0.00    -0.175 NA
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 4