REMARK  Name = BDB021876
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.266  -0.404  -0.591  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -1.930   0.813  -0.391  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -3.303   0.707  -0.350  0.00  0.00    -0.268 N 
ATOM      4  H   LIG    1       -3.660  -0.197  -0.068  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -1.320   1.870  -0.245  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -4.250   1.756  -0.307  0.00  0.00    +0.049 A 
ATOM      7  C   LIG    1       -5.584   1.456   0.036  0.00  0.00    +0.042 A 
ATOM      8 BR   LIG    1       -6.123  -0.317   0.467  0.00  0.00    -0.048 Br
ATOM      9  C   LIG    1       -6.559   2.455   0.077  0.00  0.00    +0.055 A 
ATOM     10  C   LIG    1       -6.203   3.760  -0.233  0.00  0.00    +0.125 A 
ATOM     11  F   LIG    1       -7.134   4.723  -0.197  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -4.900   4.082  -0.585  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1       -3.925   3.080  -0.626  0.00  0.00    +0.027 A 
ENDBRANCH   3   6
BRANCH   1  17
ATOM     14  N   LIG    1        2.951   0.101  -0.300  0.00  0.00    -0.300 NA
ATOM     15  C   LIG    1        2.098   0.797   0.663  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1        0.784   0.029   0.823  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1        0.212  -0.445  -0.529  0.00  0.00    +0.080 C 
ATOM     18  C   LIG    1        0.869   0.273  -1.711  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1        2.395   0.139  -1.662  0.00  0.00    +0.086 C 
BRANCH  14  20
ATOM     20  C   LIG    1        4.384   0.466  -0.271  0.00  0.00    +0.054 C 
ATOM     21  C   LIG    1        4.639   1.980  -0.262  0.00  0.00    +0.024 C 
BRANCH  20  22
ATOM     22  C   LIG    1        5.064  -0.244   0.925  0.00  0.00    +0.018 C 
BRANCH  22  24
ATOM     23  C   LIG    1        7.340  -0.618  -0.184  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        6.586  -0.075   1.020  0.00  0.00    -0.002 C 
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH  14  20
ENDBRANCH   1  17
BRANCH   1  25
ATOM     25  C   LIG    1       -1.924  -1.560  -1.211  0.00  0.00    +0.144 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.638  -2.471  -0.237  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -3.720  -3.242  -0.693  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -4.399  -4.101   0.173  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -3.999  -4.210   1.502  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -2.917  -3.466   1.964  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -2.236  -2.606   1.099  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 7