REMARK  Name = BDB062574
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.145   0.014  -0.017  0.00  0.00    +0.182 A 
ATOM      2  N   LIG    1        0.625   1.104   0.119  0.00  0.00    -0.145 NA
ATOM      3  N   LIG    1        1.879   0.598   0.092  0.00  0.00    -0.219 N 
ATOM      4  C   LIG    1        1.808  -0.786  -0.061  0.00  0.00    +0.156 A 
ATOM      5  C   LIG    1        3.029  -1.511  -0.114  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1        4.199  -0.850  -0.015  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1        4.244   0.599   0.145  0.00  0.00    +0.036 A 
ATOM      8 BR   LIG    1        5.904   1.427   0.272  0.00  0.00    -0.049 Br
ATOM      9  C   LIG    1        3.087   1.281   0.194  0.00  0.00    +0.130 A 
ATOM     10  N   LIG    1        0.554  -1.165  -0.131  0.00  0.00    -0.207 NA
ENDROOT
BRANCH   1  15
ATOM     11 CL   LIG    1       -6.132   0.138  -0.138  0.00  0.00    -0.084 Cl
ATOM     12  C   LIG    1       -4.412   0.105  -0.103  0.00  0.00    +0.041 A 
ATOM     13  C   LIG    1       -3.699   1.293   0.043  0.00  0.00    +0.021 A 
ATOM     14  C   LIG    1       -2.301   1.265   0.072  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1       -1.606   0.051  -0.046  0.00  0.00    +0.021 A 
ATOM     16  C   LIG    1       -2.342  -1.135  -0.192  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1       -3.740  -1.109  -0.221  0.00  0.00    +0.021 A 
ENDBRANCH   1  15
TORSDOF 1