REMARK  Name = BDB053342
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.021  -2.406   0.896  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1        0.426  -1.503   0.206  0.00  0.00    +0.266 A 
ATOM      3  N   LIG    1       -0.144  -0.940  -0.923  0.00  0.00    -0.274 N 
ATOM      4  S   LIG    1        0.745   0.347  -1.627  0.00  0.00    -0.008 S 
ATOM      5  C   LIG    1        2.009   0.173  -0.401  0.00  0.00    +0.044 A 
ATOM      6  C   LIG    1        3.176   0.911  -0.279  0.00  0.00    +0.050 A 
ATOM      7  C   LIG    1        4.045   0.601   0.781  0.00  0.00    +0.127 A 
ATOM      8  C   LIG    1        3.743  -0.430   1.697  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1        2.561  -1.163   1.557  0.00  0.00    +0.016 A 
ATOM     10  C   LIG    1        1.712  -0.845   0.504  0.00  0.00    +0.055 A 
ENDROOT
BRANCH   7  11
ATOM     11  N   LIG    1        5.291   1.364   0.938  0.00  0.00    +0.056 N 
ATOM     12  O   LIG    1        6.030   1.070   1.888  0.00  0.00    -0.126 OA
ATOM     13  O   LIG    1        5.527   2.254   0.110  0.00  0.00    -0.126 OA
ENDBRANCH   7  11
BRANCH   3  14
ATOM     14  C   LIG    1       -1.467  -1.287  -1.399  0.00  0.00    +0.168 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -2.543  -0.399  -0.820  0.00  0.00    -0.027 A 
ATOM     16  C   LIG    1       -3.042   0.690  -1.550  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1       -4.025   1.518  -1.004  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -4.515   1.270   0.277  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -4.022   0.195   1.014  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -3.040  -0.634   0.471  0.00  0.00    +0.005 A 
ENDBRANCH  14  15
ENDBRANCH   3  14
TORSDOF 3