REMARK  Name = BDB042784
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        4.696  -0.244   1.473  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1        3.481  -0.232   1.314  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1        2.877   0.384   0.125  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        1.491   0.382   0.005  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1        0.849   0.986  -1.079  0.00  0.00    +0.040 A 
ATOM      6  N   LIG    1       -0.540   0.974  -1.222  0.00  0.00    -0.339 N 
ATOM      7  H   LIG    1       -0.899   1.719  -1.814  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1       -1.340   0.768  -0.007  0.00  0.00    +0.087 C 
ATOM      9  C   LIG    1       -0.801  -0.402   0.854  0.00  0.00    +0.092 C 
ATOM     10  C   LIG    1        1.649   1.518  -2.096  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        3.039   1.510  -1.978  0.00  0.00    +0.126 A 
ATOM     12  F   LIG    1        3.782   2.046  -2.955  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        0.707  -0.300   1.043  0.00  0.00    +0.080 A 
ATOM     14  N   LIG    1        1.249  -0.844   2.095  0.00  0.00    -0.175 NA
ATOM     15  C   LIG    1        3.666   0.958  -0.870  0.00  0.00    +0.052 A 
ATOM     16  N   LIG    1        2.605  -0.778   2.223  0.00  0.00    -0.242 N 
ATOM     17  H   LIG    1        3.002  -1.221   3.046  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1       -1.266  -1.764   0.324  0.00  0.00    -0.018 A 
ATOM     19  C   LIG    1       -2.524  -2.293   0.676  0.00  0.00    +0.045 A 
ATOM     20 CL   LIG    1       -3.622  -1.448   1.713  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1       -2.950  -3.531   0.180  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -2.136  -4.259  -0.684  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -0.898  -3.747  -1.058  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -0.469  -2.512  -0.564  0.00  0.00    +0.006 A 
ENDBRANCH   9  18
BRANCH   8  25
ATOM     25  C   LIG    1       -1.517   2.041   0.808  0.00  0.00    +0.010 C 
ATOM     26  C   LIG    1       -2.139   3.268   0.178  0.00  0.00    +0.006 C 
ATOM     27  C   LIG    1       -0.715   3.315   0.650  0.00  0.00    +0.006 C 
ENDBRANCH   8  25
TORSDOF 2