REMARK  Name = BDB022037
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.203   0.162   0.473  0.00  0.00    +0.078 C 
ATOM      2  C   LIG    1        1.102  -0.371   1.078  0.00  0.00    +0.032 C 
ATOM      3  C   LIG    1        2.299   0.450   0.618  0.00  0.00    +0.109 C 
ATOM      4  N   LIG    1        2.361   0.547  -0.841  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1        3.561   0.775  -1.526  0.00  0.00    +0.249 C 
ATOM      6  O   LIG    1        3.620   1.359  -2.607  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1        1.139   1.000  -1.495  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1       -0.080   0.197  -1.055  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        4.833   0.309  -0.944  0.00  0.00    +0.072 A 
ATOM     10  C   LIG    1        5.013  -1.022  -0.572  0.00  0.00    +0.135 A 
ATOM     11  F   LIG    1        4.019  -1.914  -0.698  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1        6.233  -1.453  -0.058  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1        7.290  -0.550   0.069  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1        7.125   0.779  -0.326  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        5.900   1.210  -0.840  0.00  0.00    +0.016 A 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     16  N   LIG    1       -2.606  -0.140   0.518  0.00  0.00    -0.282 N 
ATOM     17  H   LIG    1       -2.595   0.750   0.029  0.00  0.00    +0.155 HD
ATOM     18  C   LIG    1       -1.400  -0.687   0.910  0.00  0.00    +0.220 C 
ATOM     19  O   LIG    1       -1.258  -1.720   1.555  0.00  0.00    -0.275 OA
BRANCH  16  21
ATOM     20  C   LIG    1       -4.977   0.141   0.232  0.00  0.00    +0.141 A 
ATOM     21  C   LIG    1       -3.910  -0.643   0.728  0.00  0.00    +0.077 A 
ATOM     22  C   LIG    1       -4.181  -1.849   1.379  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1       -5.501  -2.268   1.539  0.00  0.00    +0.043 A 
ATOM     24 CL   LIG    1       -5.838  -3.753   2.342  0.00  0.00    -0.083 Cl
ATOM     25  C   LIG    1       -6.555  -1.498   1.054  0.00  0.00    +0.024 A 
ATOM     26  C   LIG    1       -6.296  -0.291   0.400  0.00  0.00    +0.049 A 
BRANCH  20  28
ATOM     27  C   LIG    1       -5.649   2.116  -0.930  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1       -4.606   1.309  -0.395  0.00  0.00    -0.493 OA
ENDBRANCH  20  28
ENDBRANCH  16  21
ENDBRANCH   1  18
TORSDOF 4