REMARK  Name = BDB030254
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.850  -1.097   1.091  0.00  0.00    +0.071 C 
ATOM      2  C   LIG    1       -2.047  -1.156  -0.201  0.00  0.00    +0.023 C 
ATOM      3  C   LIG    1       -0.901  -1.755  -0.947  0.00  0.00    +0.112 C 
ATOM      4  N   LIG    1        0.241  -1.107  -0.309  0.00  0.00    -0.296 N 
ATOM      5  C   LIG    1        1.470  -1.045  -0.940  0.00  0.00    +0.266 C 
ATOM      6  O   LIG    1        1.647  -1.602  -2.026  0.00  0.00    -0.268 OA
ATOM      7  C   LIG    1       -0.115  -0.603   1.018  0.00  0.00    +0.112 C 
ATOM      8  C   LIG    1       -1.402  -1.321   1.211  0.00  0.00    +0.023 C 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        2.560  -0.294  -0.295  0.00  0.00    +0.143 A 
ATOM     10  N   LIG    1        2.455   0.468   0.858  0.00  0.00    -0.231 NA
ATOM     11  C   LIG    1        3.649   0.975   1.068  0.00  0.00    +0.200 A 
ATOM     12  N   LIG    1        4.534   0.584   0.104  0.00  0.00    -0.334 N 
ATOM     13  C   LIG    1        3.859  -0.220  -0.769  0.00  0.00    +0.120 A 
BRANCH  12  14
ATOM     14  C   LIG    1        5.937   0.970   0.037  0.00  0.00    +0.082 C 
ATOM     15  C   LIG    1        6.238   1.780  -1.224  0.00  0.00    +0.030 C 
ATOM     16  C   LIG    1        6.861  -0.242   0.153  0.00  0.00    +0.030 C 
ENDBRANCH  12  14
ENDBRANCH   5   9
BRANCH   1  17
ATOM     17  C   LIG    1       -3.439   0.194   1.567  0.00  0.00    +0.173 C 
ATOM     18  O   LIG    1       -2.869   0.816   2.457  0.00  0.00    -0.291 OA
BRANCH  17  22
ATOM     19  C   LIG    1       -7.536   0.192  -1.523  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1       -6.580   0.655  -0.476  0.00  0.00    -0.043 A 
ATOM     21  C   LIG    1       -5.397  -0.057  -0.085  0.00  0.00    +0.022 A 
ATOM     22  C   LIG    1       -4.677   0.582   0.910  0.00  0.00    +0.055 A 
ATOM     23  S   LIG    1       -5.441   2.045   1.371  0.00  0.00    -0.094 S 
ATOM     24  C   LIG    1       -6.711   1.818   0.254  0.00  0.00    +0.049 A 
ENDBRANCH  17  22
ENDBRANCH   1  17
TORSDOF 4