REMARK  Name = BDB032630
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.050  -3.785   2.679  0.00  0.00    -0.150 OA
ATOM      2  S   LIG    1       -0.175  -3.093   1.757  0.00  0.00    +0.074 S 
ATOM      3  O   LIG    1        0.777  -3.812   0.937  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1       -1.210  -2.121   0.688  0.00  0.00    +0.109 A 
ATOM      5  C   LIG    1       -2.208  -1.321   1.255  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -3.013  -0.539   0.423  0.00  0.00    -0.042 A 
ATOM      7  C   LIG    1       -4.127   0.316   0.969  0.00  0.00    +0.035 C 
ATOM      8  C   LIG    1       -4.167   1.679   0.275  0.00  0.00    +0.005 C 
ATOM      9  C   LIG    1       -3.961   1.637  -1.247  0.00  0.00    +0.005 C 
ATOM     10  C   LIG    1       -3.757   0.239  -1.831  0.00  0.00    +0.035 C 
ATOM     11  C   LIG    1       -2.830  -0.579  -0.971  0.00  0.00    -0.044 A 
ATOM     12  C   LIG    1       -1.847  -1.405  -1.527  0.00  0.00    +0.006 A 
ATOM     13  C   LIG    1       -1.032  -2.176  -0.698  0.00  0.00    +0.029 A 
ENDBRANCH   2   4
BRANCH   2  14
ATOM     14  N   LIG    1        0.635  -1.938   2.635  0.00  0.00    -0.197 N 
ATOM     15  H   LIG    1        0.316  -1.802   3.591  0.00  0.00    +0.175 HD
BRANCH  14  16
ATOM     16  C   LIG    1        1.506  -0.997   2.120  0.00  0.00    +0.181 A 
ATOM     17  N   LIG    1        1.863   0.044   2.873  0.00  0.00    -0.061 NA
ATOM     18  O   LIG    1        2.719   0.797   2.089  0.00  0.00    -0.353 OA
ATOM     19  C   LIG    1        2.881   0.197   0.874  0.00  0.00    +0.169 A 
ATOM     20  C   LIG    1        2.127  -0.954   0.857  0.00  0.00    +0.097 A 
BRANCH  19  21
ATOM     21  C   LIG    1        3.767   0.864  -0.075  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        4.035   0.285  -1.325  0.00  0.00    +0.011 A 
ATOM     23  C   LIG    1        4.880   0.916  -2.243  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        5.470   2.136  -1.924  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.216   2.726  -0.689  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        4.371   2.094   0.228  0.00  0.00    +0.011 A 
ENDBRANCH  19  21
ENDBRANCH  14  16
ENDBRANCH   2  14
TORSDOF 4