REMARK  Name = BDB004460
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.043  -2.472  -2.103  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.431  -1.807  -1.202  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1       -0.104  -0.518  -0.825  0.00  0.00    -0.257 N 
ATOM      4  C   LIG    1       -0.893  -0.047   0.297  0.00  0.00    +0.189 C 
ATOM      5  C   LIG    1       -1.774  -1.233   0.596  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1       -2.737  -1.411   1.580  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1       -3.408  -2.637   1.630  0.00  0.00    +0.039 A 
ATOM      8  C   LIG    1       -3.105  -3.653   0.710  0.00  0.00    +0.124 A 
ATOM      9  F   LIG    1       -3.766  -4.816   0.786  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1       -2.137  -3.485  -0.272  0.00  0.00    +0.051 A 
ATOM     11  C   LIG    1       -1.490  -2.266  -0.299  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -1.678   1.225   0.003  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -1.605   2.341   0.857  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1       -2.330   3.505   0.585  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -3.141   3.569  -0.544  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -4.032   5.001  -0.879  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -3.235   2.478  -1.404  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -2.510   1.314  -1.132  0.00  0.00    +0.010 A 
ENDBRANCH   4  12
BRANCH   4  19
ATOM     19  O   LIG    1       -0.017   0.108   1.395  0.00  0.00    -0.364 OA
ATOM     20  H   LIG    1        0.727  -0.484   1.196  0.00  0.00    +0.213 HD
ENDBRANCH   4  19
BRANCH   3  21
ATOM     21  C   LIG    1        0.891   0.286  -1.513  0.00  0.00    +0.146 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.239   0.234  -0.834  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        2.688   1.313  -0.057  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1        3.928   1.257   0.586  0.00  0.00    +0.033 A 
ATOM     25  C   LIG    1        4.724   0.112   0.454  0.00  0.00    +0.126 A 
ATOM     26  C   LIG    1        4.286  -0.974  -0.312  0.00  0.00    +0.033 A 
ATOM     27  C   LIG    1        3.046  -0.909  -0.951  0.00  0.00    +0.007 A 
BRANCH  25  28
ATOM     28  N   LIG    1        6.026   0.050   1.129  0.00  0.00    +0.056 N 
ATOM     29  O   LIG    1        6.693  -0.987   1.004  0.00  0.00    -0.126 OA
ATOM     30  O   LIG    1        6.382   1.039   1.787  0.00  0.00    -0.126 OA
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 5