REMARK  Name = BDB025328
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.102   0.056   0.186  0.00  0.00    -0.322 N 
ATOM      2  C   LIG    1        0.654   1.295   0.086  0.00  0.00    +0.090 A 
ATOM      3  C   LIG    1        1.990   1.175   0.049  0.00  0.00    +0.029 A 
ATOM      4  C   LIG    1        2.665   2.392  -0.047  0.00  0.00    +0.035 A 
ATOM      5  C   LIG    1        1.756   3.436  -0.082  0.00  0.00    +0.063 A 
ATOM      6 BR   LIG    1        4.529   2.628  -0.123  0.00  0.00    -0.049 Br
ATOM      7  C   LIG    1        2.362  -0.172   0.109  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1        3.570  -0.899   0.101  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        3.541  -2.295   0.167  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        2.332  -2.976   0.239  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        1.116  -2.286   0.250  0.00  0.00    +0.026 A 
ATOM     12  S   LIG    1        0.113   2.872  -0.001  0.00  0.00    -0.078 S 
ATOM     13  C   LIG    1        1.141  -0.882   0.188  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   1  20
ATOM     14  O   LIG    1       -5.339   0.696  -0.111  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1       -4.133   0.472  -0.077  0.00  0.00    +0.219 C 
ATOM     16  N   LIG    1       -3.358   0.916   0.965  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1       -3.854   1.405   1.698  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1       -2.080   0.514   1.283  0.00  0.00    +0.242 C 
ATOM     19  O   LIG    1       -1.642   0.716   2.414  0.00  0.00    -0.273 OA
ATOM     20  C   LIG    1       -1.325  -0.261   0.209  0.00  0.00    +0.175 C 
ATOM     21  C   LIG    1       -1.955  -0.071  -1.173  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1       -3.441  -0.382  -1.111  0.00  0.00    +0.099 C 
ENDBRANCH   1  20
TORSDOF 1