REMARK  Name = BDB031675
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.653   2.552  -0.380  0.00  0.00    +0.072 S 
ATOM      2  O   LIG    1        0.200   2.964  -1.691  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1        1.557   3.368   0.401  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   6
ATOM      4  C   LIG    1        2.641  -0.874   0.466  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        2.065   0.395   0.572  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1        1.416   0.950  -0.537  0.00  0.00    +0.110 A 
ATOM      7  C   LIG    1        1.368   0.269  -1.757  0.00  0.00    +0.029 A 
ATOM      8  C   LIG    1        1.952  -0.993  -1.860  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        2.582  -1.565  -0.751  0.00  0.00    +0.019 A 
BRANCH   4  11
ATOM     10  N   LIG    1        3.796  -1.960   2.519  0.00  0.00    -0.191 NA
ATOM     11  C   LIG    1        3.282  -1.471   1.601  0.00  0.00    +0.099 C 
ENDBRANCH   4  11
ENDBRANCH   1   6
BRANCH   1  12
ATOM     12  N   LIG    1       -0.707   2.267   0.597  0.00  0.00    -0.213 N 
ATOM     13  H   LIG    1       -0.417   2.314   1.578  0.00  0.00    +0.174 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -1.466   1.109   0.289  0.00  0.00    +0.092 A 
ATOM     15  C   LIG    1       -1.481   0.009   1.185  0.00  0.00    +0.178 A 
ATOM     16  N   LIG    1       -2.282  -1.079   0.837  0.00  0.00    -0.219 N 
ATOM     17  N   LIG    1       -2.147  -2.035   1.786  0.00  0.00    -0.154 NA
ATOM     18  C   LIG    1       -1.287  -1.476   2.639  0.00  0.00    +0.246 A 
ATOM     19  C   LIG    1       -3.055  -1.099  -0.326  0.00  0.00    +0.115 A 
ATOM     20  C   LIG    1       -3.045  -0.043  -1.158  0.00  0.00    +0.022 A 
ATOM     21  N   LIG    1       -0.844  -0.228   2.312  0.00  0.00    -0.213 NA
ATOM     22  C   LIG    1       -2.221   1.112  -0.823  0.00  0.00    +0.030 A 
ENDBRANCH  12  14
ENDBRANCH   1  12
TORSDOF 4