REMARK  Name = BDB021926
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.567   0.830   1.236  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1        2.716   0.271   0.158  0.00  0.00    +0.304 C 
ATOM      3  N   LIG    1        1.658  -0.201  -0.596  0.00  0.00    -0.296 N 
ATOM      4  H   LIG    1        1.870  -1.000  -1.175  0.00  0.00    +0.151 HD
ATOM      5  N   LIG    1        3.909   0.031  -0.484  0.00  0.00    -0.268 N 
ATOM      6  H   LIG    1        3.839  -0.223  -1.460  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        5.218   0.298  -0.020  0.00  0.00    +0.053 A 
ATOM      8  C   LIG    1        6.295   0.123  -0.911  0.00  0.00    +0.063 A 
ATOM      9 CL   LIG    1        6.024  -0.399  -2.541  0.00  0.00    -0.082 Cl
ATOM     10  C   LIG    1        7.612   0.363  -0.511  0.00  0.00    +0.037 A 
ATOM     11  C   LIG    1        7.862   0.779   0.792  0.00  0.00    +0.019 A 
ATOM     12 BR   LIG    1        9.638   1.108   1.348  0.00  0.00    -0.050 Br
ATOM     13  C   LIG    1        6.813   0.952   1.692  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1        5.495   0.710   1.287  0.00  0.00    +0.026 A 
ENDBRANCH   5   7
BRANCH   3  15
ATOM     15  C   LIG    1        0.285  -0.105  -0.104  0.00  0.00    +0.077 C 
ATOM     16  C   LIG    1       -0.009  -1.160   0.962  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1       -1.439  -1.013   1.495  0.00  0.00    +0.086 C 
ATOM     18  N   LIG    1       -2.389  -0.472   0.509  0.00  0.00    -0.298 NA
ATOM     19  C   LIG    1       -2.039  -0.872  -0.853  0.00  0.00    +0.086 C 
ATOM     20  C   LIG    1       -0.712  -0.225  -1.266  0.00  0.00    +0.038 C 
BRANCH  18  21
ATOM     21  C   LIG    1       -3.770  -0.824   0.875  0.00  0.00    +0.119 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.816  -0.023   0.127  0.00  0.00    -0.033 A 
ATOM     23  C   LIG    1       -4.788   1.380   0.147  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -5.761   2.119  -0.527  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -6.775   1.465  -1.224  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -6.818   0.072  -1.246  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -5.845  -0.669  -0.573  0.00  0.00    +0.005 A 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   3  15
TORSDOF 4