REMARK  Name = BDB031653
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.869  -1.816   1.683  0.00  0.00    -0.214 N 
ATOM      2  H   LIG    1       -0.841  -2.786   1.381  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1  10
ATOM      3  C   LIG    1        3.612   1.720   0.880  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1        2.475   0.750   1.045  0.00  0.00    -0.041 A 
ATOM      5  C   LIG    1        2.115  -0.215   0.071  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        1.034  -1.068   0.316  0.00  0.00    +0.069 A 
ATOM      7  N   LIG    1        0.901  -1.879  -0.791  0.00  0.00    -0.359 N 
ATOM      8  H   LIG    1        0.193  -2.590  -0.901  0.00  0.00    +0.165 HD
ATOM      9  C   LIG    1        1.855  -1.577  -1.723  0.00  0.00    +0.083 A 
ATOM     10  C   LIG    1        0.280  -1.003   1.495  0.00  0.00    +0.072 A 
ATOM     11  C   LIG    1        0.631  -0.043   2.443  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        2.622  -0.554  -1.218  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        1.708   0.812   2.226  0.00  0.00    +0.006 A 
ENDBRANCH   1  10
BRANCH   1  14
ATOM     14  S   LIG    1       -2.399  -1.117   1.567  0.00  0.00    +0.072 S 
ATOM     15  O   LIG    1       -2.540  -0.077   2.561  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1       -3.334  -2.220   1.491  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1       -2.367  -0.339  -0.035  0.00  0.00    +0.110 A 
ATOM     18  C   LIG    1       -1.912   0.980  -0.151  0.00  0.00    +0.047 A 
ATOM     19  C   LIG    1       -1.863   1.581  -1.411  0.00  0.00    +0.054 A 
ATOM     20  C   LIG    1       -2.294   0.869  -2.539  0.00  0.00    +0.019 A 
ATOM     21  C   LIG    1       -2.775  -0.436  -2.410  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1       -2.816  -1.044  -1.156  0.00  0.00    +0.029 A 
BRANCH  19  23
ATOM     23  C   LIG    1       -1.369   2.920  -1.552  0.00  0.00    +0.099 C 
ATOM     24  N   LIG    1       -0.973   4.003  -1.675  0.00  0.00    -0.191 NA
ENDBRANCH  19  23
ENDBRANCH  14  17
ENDBRANCH   1  14
TORSDOF 4