REMARK  Name = BDB000625
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.149   0.680   0.654  0.00  0.00    -0.260 N 
ATOM      2  C   LIG    1        0.929  -0.044   0.116  0.00  0.00    +0.048 A 
ATOM      3  C   LIG    1        1.910   0.817  -0.378  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1        3.082   0.378  -0.963  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1        3.258  -1.001  -1.046  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1        2.284  -1.891  -0.554  0.00  0.00    +0.017 A 
ATOM      7 BR   LIG    1        4.832  -1.693  -1.833  0.00  0.00    -0.050 Br
ATOM      8  C   LIG    1        1.447   2.184  -0.149  0.00  0.00    +0.250 C 
ATOM      9  O   LIG    1        2.026   3.205  -0.441  0.00  0.00    -0.282 OA
ATOM     10  C   LIG    1        1.105  -1.413   0.035  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        0.068   2.046   0.542  0.00  0.00    +0.292 C 
ATOM     12  O   LIG    1       -0.635   2.970   0.889  0.00  0.00    -0.266 OA
ENDROOT
BRANCH   1  13
ATOM     13  C   LIG    1       -1.341   0.107   1.231  0.00  0.00    +0.144 C 
BRANCH  13  15
ATOM     14  C   LIG    1       -2.652  -1.625  -0.009  0.00  0.00    +0.009 C 
ATOM     15  C   LIG    1       -2.295  -0.338   0.147  0.00  0.00    -0.062 C 
ATOM     16  C   LIG    1       -2.882   0.742  -0.722  0.00  0.00    +0.040 C 
ENDBRANCH  13  15
ENDBRANCH   1  13
TORSDOF 2