REMARK  Name = BDB002458
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.276  -0.819  -0.712  0.00  0.00    +0.139 A 
ATOM      2  S   LIG    1        0.140  -2.167  -1.806  0.00  0.00    -0.026 S 
ATOM      3  C   LIG    1        1.754  -1.629  -1.666  0.00  0.00    +0.219 A 
ATOM      4  N   LIG    1        1.825  -0.542  -0.860  0.00  0.00    -0.182 N 
ATOM      5  C   LIG    1        3.151  -0.203  -0.836  0.00  0.00    +0.221 A 
ATOM      6  N   LIG    1        3.822  -1.066  -1.592  0.00  0.00    -0.123 NA
ATOM      7  N   LIG    1        2.919  -1.982  -2.127  0.00  0.00    -0.120 NA
ATOM      8  N   LIG    1        0.690  -0.043  -0.295  0.00  0.00    -0.155 NA
ENDROOT
BRANCH   1  10
ATOM      9  C   LIG    1       -2.364   0.479  -0.881  0.00  0.00    +0.133 A 
ATOM     10  C   LIG    1       -1.685  -0.629  -0.361  0.00  0.00    +0.092 A 
ATOM     11  C   LIG    1       -2.330  -1.524   0.508  0.00  0.00    +0.133 A 
ATOM     12  C   LIG    1       -3.676  -1.301   0.820  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1       -4.362  -0.209   0.276  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -3.710   0.678  -0.579  0.00  0.00    +0.046 A 
BRANCH   9  16
ATOM     15  C   LIG    1       -1.436   2.571  -1.143  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1       -1.740   1.321  -1.765  0.00  0.00    -0.494 OA
ENDBRANCH   9  16
BRANCH  11  17
ATOM     17  O   LIG    1       -1.575  -2.553   1.005  0.00  0.00    -0.494 OA
ATOM     18  C   LIG    1       -2.219  -3.494   1.855  0.00  0.00    +0.277 C 
ENDBRANCH  11  17
ENDBRANCH   1  10
BRANCH   5  19
ATOM     19  C   LIG    1        3.724   0.891  -0.123  0.00  0.00    +0.173 A 
ATOM     20  O   LIG    1        2.996   1.773   0.636  0.00  0.00    -0.460 OA
ATOM     21  C   LIG    1        3.857   2.677   1.165  0.00  0.00    +0.196 A 
ATOM     22  C   LIG    1        5.142   2.407   0.765  0.00  0.00    +0.042 A 
ATOM     23  C   LIG    1        5.058   1.262  -0.061  0.00  0.00    +0.053 A 
ENDBRANCH   5  19
TORSDOF 4