REMARK  Name = BDB009884
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.353   0.448   0.054  0.00  0.00    +0.048 C 
ATOM      2  C   LIG    1        1.926  -0.483  -1.103  0.00  0.00    +0.223 C 
ATOM      3  O   LIG    1        2.718  -0.763  -2.004  0.00  0.00    -0.275 OA
ATOM      4  N   LIG    1        0.675  -1.093  -1.008  0.00  0.00    -0.291 N 
ATOM      5  C   LIG    1       -0.336  -0.583  -0.055  0.00  0.00    +0.114 C 
ATOM      6  C   LIG    1       -0.202   0.958   0.096  0.00  0.00    +0.045 C 
ATOM      7  C   LIG    1        1.214   1.374   0.522  0.00  0.00    +0.026 C 
ATOM      8  C   LIG    1        2.804  -0.492   1.197  0.00  0.00    +0.021 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -1.226   1.597   1.032  0.00  0.00    -0.041 A 
ATOM     10  C   LIG    1       -1.369   1.173   2.366  0.00  0.00    +0.027 A 
ATOM     11  C   LIG    1       -2.324   1.762   3.197  0.00  0.00    +0.076 A 
ATOM     12 CL   LIG    1       -2.479   1.214   4.822  0.00  0.00    -0.081 Cl
ATOM     13  C   LIG    1       -3.137   2.780   2.708  0.00  0.00    +0.142 A 
ATOM     14  F   LIG    1       -4.060   3.358   3.491  0.00  0.00    -0.204 F 
ATOM     15  C   LIG    1       -3.005   3.218   1.395  0.00  0.00    +0.040 A 
ATOM     16  C   LIG    1       -2.053   2.631   0.560  0.00  0.00    +0.007 A 
ENDBRANCH   6   9
BRANCH   5  17
ATOM     17  C   LIG    1       -1.774  -0.939  -0.452  0.00  0.00    -0.026 A 
ATOM     18  C   LIG    1       -2.329  -0.503  -1.668  0.00  0.00    +0.007 A 
ATOM     19  C   LIG    1       -3.646  -0.822  -2.006  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -4.421  -1.577  -1.130  0.00  0.00    +0.041 A 
ATOM     21 CL   LIG    1       -6.044  -1.968  -1.545  0.00  0.00    -0.084 Cl
ATOM     22  C   LIG    1       -3.890  -2.020   0.079  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -2.572  -1.704   0.417  0.00  0.00    +0.007 A 
ENDBRANCH   5  17
BRANCH   4  24
ATOM     24  C   LIG    1        0.478  -2.412  -1.663  0.00  0.00    +0.071 C 
ATOM     25  C   LIG    1        1.468  -3.462  -1.144  0.00  0.00    +0.028 C 
ATOM     26  C   LIG    1        0.502  -2.331  -3.191  0.00  0.00    +0.028 C 
ENDBRANCH   4  24
BRANCH   1  27
ATOM     27  C   LIG    1        3.579   1.283  -0.443  0.00  0.00    +0.042 C 
BRANCH  27  29
ATOM     28  C   LIG    1        4.012   2.720   1.667  0.00  0.00    +0.004 C 
ATOM     29  C   LIG    1        4.268   2.319   0.416  0.00  0.00    -0.033 C 
ENDBRANCH  27  29
ENDBRANCH   1  27
TORSDOF 5