REMARK  Name = BDB032590
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.019  -2.660  -0.862  0.00  0.00    -0.197 N 
ATOM      2  H   LIG    1       -1.266  -3.584  -0.517  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.079  -2.045  -0.292  0.00  0.00    +0.181 A 
ATOM      4  N   LIG    1        0.719  -2.651   0.709  0.00  0.00    -0.061 NA
ATOM      5  O   LIG    1        1.747  -1.799   1.068  0.00  0.00    -0.353 OA
ATOM      6  C   LIG    1        1.727  -0.690   0.273  0.00  0.00    +0.169 A 
ATOM      7  C   LIG    1        0.679  -0.812  -0.612  0.00  0.00    +0.097 A 
BRANCH   6   8
ATOM      8  C   LIG    1        2.757   0.314   0.519  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.807   1.486  -0.253  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1        3.788   2.455  -0.023  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        4.733   2.269   0.982  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        4.699   1.113   1.757  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        3.718   0.144   1.528  0.00  0.00    +0.011 A 
ENDBRANCH   6   8
ENDBRANCH   1   3
BRANCH   1  15
ATOM     14  O   LIG    1       -3.138  -2.928  -2.164  0.00  0.00    -0.150 OA
ATOM     15  S   LIG    1       -2.129  -1.936  -1.864  0.00  0.00    +0.074 S 
ATOM     16  O   LIG    1       -1.429  -1.228  -2.914  0.00  0.00    -0.150 OA
BRANCH  15  17
ATOM     17  C   LIG    1       -2.888  -0.735  -0.796  0.00  0.00    +0.110 A 
ATOM     18  C   LIG    1       -2.690   0.629  -1.028  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1       -3.290   1.552  -0.177  0.00  0.00    +0.043 A 
ATOM     20 CL   LIG    1       -3.043   3.234  -0.436  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1       -4.089   1.125   0.885  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -4.296  -0.239   1.100  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1       -3.698  -1.175   0.256  0.00  0.00    +0.029 A 
ENDBRANCH  15  17
ENDBRANCH   1  15
TORSDOF 4