REMARK  Name = BDB003248
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.038   0.090  -0.418  0.00  0.00    +0.072 A 
ATOM      2  N   LIG    1       -0.398  -0.011  -1.740  0.00  0.00    -0.333 N 
ATOM      3  H   LIG    1        0.215   0.027  -2.540  0.00  0.00    +0.168 HD
ATOM      4  C   LIG    1       -1.791  -0.174  -1.860  0.00  0.00    +0.163 A 
ATOM      5  S   LIG    1       -2.487  -0.408  -3.345  0.00  0.00    -0.013 S 
ATOM      6  N   LIG    1       -2.282  -0.145  -0.513  0.00  0.00    -0.295 N 
ATOM      7  C   LIG    1       -1.165   0.008   0.309  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   1  10
ATOM      8  O   LIG    1        0.744   1.258   2.112  0.00  0.00    -0.244 OA
ATOM      9  C   LIG    1        1.630   0.883   1.350  0.00  0.00    +0.347 A 
ATOM     10  C   LIG    1        1.340   0.266   0.012  0.00  0.00    +0.085 A 
ATOM     11  C   LIG    1        2.367  -0.115  -0.771  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        3.751   0.055  -0.359  0.00  0.00    +0.018 A 
ATOM     13  C   LIG    1        4.016   0.623   0.879  0.00  0.00    +0.139 A 
ATOM     14  C   LIG    1        5.317   0.814   1.337  0.00  0.00    +0.047 A 
ATOM     15  C   LIG    1        6.383   0.423   0.529  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        6.137  -0.150  -0.721  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        4.823  -0.335  -1.165  0.00  0.00    +0.011 A 
ATOM     18  O   LIG    1        2.965   1.026   1.717  0.00  0.00    -0.422 OA
ENDBRANCH   1  10
BRANCH   6  19
ATOM     19  C   LIG    1       -3.629  -0.259  -0.052  0.00  0.00    +0.048 A 
ATOM     20  C   LIG    1       -3.889  -0.666   1.270  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -5.196  -0.783   1.758  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -6.275  -0.484   0.936  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -6.044  -0.065  -0.369  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -4.734   0.049  -0.854  0.00  0.00    +0.026 A 
ENDBRANCH   6  19
TORSDOF 2