REMARK  Name = BDB025331
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.074  -0.348   0.030  0.00  0.00    -0.313 N 
ATOM      2  C   LIG    1       -0.974  -1.194   0.637  0.00  0.00    +0.145 A 
ATOM      3  C   LIG    1       -2.255  -0.735   0.356  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1       -3.337  -1.469   0.875  0.00  0.00    +0.016 A 
ATOM      5  C   LIG    1       -3.045  -2.600   1.637  0.00  0.00    +0.060 A 
ATOM      6  C   LIG    1       -1.719  -2.943   1.849  0.00  0.00    +0.215 A 
ATOM      7  F   LIG    1       -1.470  -4.032   2.593  0.00  0.00    -0.184 F 
ATOM      8  C   LIG    1       -2.116   0.448  -0.429  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1       -3.047   1.347  -0.993  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1       -2.582   2.445  -1.720  0.00  0.00    +0.019 A 
ATOM     11 BR   LIG    1       -3.827   3.652  -2.476  0.00  0.00    -0.050 Br
ATOM     12  C   LIG    1       -1.221   2.663  -1.896  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1       -0.281   1.785  -1.346  0.00  0.00    +0.027 A 
ATOM     14  N   LIG    1       -0.646  -2.273   1.377  0.00  0.00    -0.201 NA
ATOM     15  C   LIG    1       -0.746   0.679  -0.613  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   1  22
ATOM     16  O   LIG    1        5.338   0.586  -0.272  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        4.154   0.297  -0.132  0.00  0.00    +0.219 C 
ATOM     18  N   LIG    1        3.386  -0.084  -1.204  0.00  0.00    -0.255 N 
ATOM     19  H   LIG    1        3.860  -0.116  -2.097  0.00  0.00    +0.158 HD
ATOM     20  C   LIG    1        2.082  -0.530  -1.202  0.00  0.00    +0.242 C 
ATOM     21  O   LIG    1        1.584  -0.953  -2.242  0.00  0.00    -0.273 OA
ATOM     22  C   LIG    1        1.375  -0.522   0.145  0.00  0.00    +0.176 C 
ATOM     23  C   LIG    1        1.987   0.514   1.091  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1        3.482   0.271   1.219  0.00  0.00    +0.099 C 
ENDBRANCH   1  22
TORSDOF 1