REMARK  Name = BDB031668
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.348  -2.483   0.420  0.00  0.00    -0.214 N 
ATOM      2  H   LIG    1        0.541  -2.719   1.390  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1  10
ATOM      3  C   LIG    1       -4.041   0.960  -1.037  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -2.893   0.094  -0.590  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -2.109   0.355   0.570  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -1.065  -0.529   0.889  0.00  0.00    +0.070 A 
ATOM      7  N   LIG    1       -0.462  -0.059   2.038  0.00  0.00    -0.358 N 
ATOM      8  H   LIG    1        0.322  -0.501   2.497  0.00  0.00    +0.165 HD
ATOM      9  C   LIG    1       -1.069   1.086   2.465  0.00  0.00    +0.099 A 
ATOM     10  C   LIG    1       -0.758  -1.651   0.109  0.00  0.00    +0.072 A 
ATOM     11  C   LIG    1       -1.524  -1.889  -1.028  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -2.083   1.359   1.582  0.00  0.00    +0.043 A 
ATOM     13 BR   LIG    1       -3.225   2.844   1.726  0.00  0.00    -0.048 Br
ATOM     14  C   LIG    1       -2.572  -1.039  -1.368  0.00  0.00    +0.006 A 
ENDBRANCH   1  10
BRANCH   1  15
ATOM     15  S   LIG    1        1.714  -2.455  -0.564  0.00  0.00    +0.072 S 
ATOM     16  O   LIG    1        2.753  -3.137   0.179  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1        1.358  -2.861  -1.906  0.00  0.00    -0.150 OA
BRANCH  15  18
ATOM     18  C   LIG    1        2.146  -0.729  -0.605  0.00  0.00    +0.110 A 
ATOM     19  C   LIG    1        2.973  -0.203   0.393  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1        3.305   1.156   0.363  0.00  0.00    +0.054 A 
ATOM     21  C   LIG    1        2.819   1.970  -0.667  0.00  0.00    +0.019 A 
ATOM     22  C   LIG    1        2.012   1.431  -1.671  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1        1.678   0.078  -1.647  0.00  0.00    +0.029 A 
BRANCH  20  24
ATOM     24  C   LIG    1        4.131   1.715   1.393  0.00  0.00    +0.099 C 
ATOM     25  N   LIG    1        4.787   2.160   2.240  0.00  0.00    -0.191 NA
ENDBRANCH  20  24
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 4