REMARK  Name = BDB025327
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.112  -0.164  -0.071  0.00  0.00    -0.322 N 
ATOM      2  C   LIG    1       -0.645  -0.925   0.922  0.00  0.00    +0.089 A 
ATOM      3  C   LIG    1       -1.967  -0.717   0.957  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1       -2.664  -1.434   1.928  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -1.757  -2.211   2.638  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -2.355   0.204  -0.013  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -3.570   0.787  -0.420  0.00  0.00    +0.026 A 
ATOM      8  C   LIG    1       -3.556   1.714  -1.465  0.00  0.00    +0.019 A 
ATOM      9 BR   LIG    1       -5.182   2.506  -2.021  0.00  0.00    -0.050 Br
ATOM     10  C   LIG    1       -2.370   2.065  -2.103  0.00  0.00    +0.017 A 
ATOM     11  C   LIG    1       -1.151   1.498  -1.717  0.00  0.00    +0.027 A 
ATOM     12  S   LIG    1       -0.119  -2.010   2.075  0.00  0.00    -0.079 S 
ATOM     13  C   LIG    1       -1.154   0.562  -0.667  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   1  20
ATOM     14  O   LIG    1        5.324  -0.828   0.191  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1        4.121  -0.600   0.100  0.00  0.00    +0.219 C 
ATOM     16  N   LIG    1        3.237  -1.584  -0.261  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1        3.651  -2.482  -0.472  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1        1.938  -1.419  -0.687  0.00  0.00    +0.242 C 
ATOM     19  O   LIG    1        1.387  -2.313  -1.325  0.00  0.00    -0.273 OA
ATOM     20  C   LIG    1        1.304  -0.059  -0.418  0.00  0.00    +0.175 C 
ATOM     21  C   LIG    1        2.076   0.726   0.645  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1        3.548   0.786   0.275  0.00  0.00    +0.099 C 
ENDBRANCH   1  20
TORSDOF 1