REMARK  Name = BDB031221
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.318  -0.002  -0.672  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        2.964  -0.349   0.639  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        1.603  -0.417   0.975  0.00  0.00    +0.091 A 
ATOM      4  N   LIG    1        1.042  -0.699   2.185  0.00  0.00    -0.224 NA
ATOM      5  C   LIG    1       -0.271  -0.660   2.004  0.00  0.00    +0.220 A 
ATOM      6  N   LIG    1       -0.583  -0.318   0.693  0.00  0.00    -0.289 N 
ATOM      7  C   LIG    1        0.627  -0.174   0.015  0.00  0.00    +0.074 A 
ATOM      8  C   LIG    1        0.964   0.192  -1.298  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1        2.324   0.258  -1.624  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -1.873  -0.146   0.117  0.00  0.00    +0.051 A 
ATOM     11  C   LIG    1       -2.850   0.604   0.790  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -4.071   0.725   0.165  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1       -4.341   0.143  -1.071  0.00  0.00    +0.067 A 
ATOM     14  N   LIG    1       -5.650   0.456  -1.416  0.00  0.00    -0.306 N 
ATOM     15  H   LIG    1       -6.148   0.185  -2.248  0.00  0.00    +0.170 HD
ATOM     16  C   LIG    1       -6.209   1.242  -0.397  0.00  0.00    +0.325 A 
ATOM     17  O   LIG    1       -7.337   1.697  -0.366  0.00  0.00    -0.247 OA
ATOM     18  C   LIG    1       -3.405  -0.593  -1.754  0.00  0.00    +0.030 A 
ATOM     19  N   LIG    1       -5.213   1.402   0.578  0.00  0.00    -0.306 N 
ATOM     20  H   LIG    1       -5.346   1.924   1.429  0.00  0.00    +0.170 HD
ATOM     21  C   LIG    1       -2.150  -0.735  -1.147  0.00  0.00    +0.028 A 
ENDBRANCH   6  10
BRANCH   1  25
ATOM     22  C   LIG    1        7.051   0.589  -0.456  0.00  0.00    +0.128 C 
ATOM     23  N   LIG    1        5.666   0.376  -0.117  0.00  0.00    -0.314 N 
ATOM     24  H   LIG    1        5.342   0.732   0.771  0.00  0.00    +0.149 HD
ATOM     25  C   LIG    1        4.742   0.085  -1.101  0.00  0.00    +0.244 C 
ATOM     26  O   LIG    1        5.036  -0.067  -2.281  0.00  0.00    -0.270 OA
ENDBRANCH   1  25
BRANCH   5  27
ATOM     27  C   LIG    1       -1.298  -1.046   3.017  0.00  0.00    +0.451 C 
ATOM     28  F   LIG    1       -0.769  -1.761   4.045  0.00  0.00    -0.163 F 
ATOM     29  F   LIG    1       -1.897   0.039   3.575  0.00  0.00    -0.163 F 
ATOM     30  F   LIG    1       -2.287  -1.817   2.492  0.00  0.00    -0.163 F 
ENDBRANCH   5  27
TORSDOF 3