REMARK  Name = BDB062495
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.284  -2.556  -1.548  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        1.080  -1.673  -0.720  0.00  0.00    +0.247 C 
ATOM      3  N   LIG    1       -0.011  -1.674   0.149  0.00  0.00    -0.290 N 
ATOM      4  C   LIG    1       -0.309  -0.524   1.010  0.00  0.00    +0.111 C 
ATOM      5  C   LIG    1       -1.367   0.315   0.307  0.00  0.00    -0.023 A 
ATOM      6  C   LIG    1       -2.482  -0.398  -0.197  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -2.522  -1.896   0.016  0.00  0.00    +0.054 C 
ATOM      8  C   LIG    1       -3.527   0.280  -0.828  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -3.460   1.663  -0.984  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -2.358   2.370  -0.503  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -1.315   1.702   0.143  0.00  0.00    +0.006 A 
ATOM     12  C   LIG    1        0.963   0.167   1.518  0.00  0.00    +0.063 C 
ATOM     13  C   LIG    1        1.958   0.389   0.416  0.00  0.00    -0.032 A 
ATOM     14  C   LIG    1        2.869   1.453   0.471  0.00  0.00    +0.025 A 
ATOM     15  C   LIG    1        3.826   1.620  -0.536  0.00  0.00    +0.055 A 
ATOM     16 CL   LIG    1        4.901   2.965  -0.396  0.00  0.00    -0.082 Cl
ATOM     17  C   LIG    1        3.885   0.710  -1.598  0.00  0.00    +0.037 A 
ATOM     18 BR   LIG    1        5.152   0.859  -3.004  0.00  0.00    -0.049 Br
ATOM     19  C   LIG    1        2.988  -0.362  -1.647  0.00  0.00    +0.030 A 
ATOM     20  C   LIG    1       -1.141  -2.550  -0.183  0.00  0.00    +0.113 C 
ATOM     21  C   LIG    1        2.026  -0.524  -0.642  0.00  0.00    +0.041 A 
ENDROOT
TORSDOF 0