REMARK  Name = BDB064559
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.845  -1.796  -0.193  0.00  0.00    +0.037 C 
ATOM      2  S   LIG    1       -4.754  -0.831   1.268  0.00  0.00    -0.123 S 
ATOM      3  C   LIG    1       -2.987  -0.639   1.014  0.00  0.00    +0.100 C 
ATOM      4  C   LIG    1       -2.874  -0.541  -0.512  0.00  0.00    +0.055 C 
ATOM      5  C   LIG    1       -1.415  -0.615  -0.816  0.00  0.00    +0.008 C 
ATOM      6  C   LIG    1       -0.581   0.055   0.016  0.00  0.00    +0.047 C 
ATOM      7  N   LIG    1       -1.146   0.859   1.190  0.00  0.00    -0.348 N 
ATOM      8  C   LIG    1       -0.374   2.026   1.679  0.00  0.00    +0.140 C 
ATOM      9  C   LIG    1        0.051   2.891   0.495  0.00  0.00    +0.123 C 
ATOM     10  N   LIG    1        1.310   2.452  -0.071  0.00  0.00    -0.342 N 
ATOM     11  H   LIG    1        1.865   3.176  -0.530  0.00  0.00    +0.146 HD
ATOM     12  C   LIG    1        1.708   1.149  -0.326  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1        3.081   0.972  -0.609  0.00  0.00    +0.073 A 
ATOM     14  C   LIG    1        3.589  -0.299  -0.762  0.00  0.00    +0.168 A 
ATOM     15  O   LIG    1        4.882  -0.616  -1.030  0.00  0.00    -0.453 OA
ATOM     16  C   LIG    1        4.810  -2.058  -1.066  0.00  0.00    +0.466 C 
ATOM     17  O   LIG    1        3.480  -2.562  -0.804  0.00  0.00    -0.453 OA
ATOM     18  C   LIG    1        2.796  -1.403  -0.631  0.00  0.00    +0.167 A 
ATOM     19  C   LIG    1        1.452  -1.292  -0.353  0.00  0.00    +0.061 A 
ATOM     20  C   LIG    1        0.882  -0.004  -0.207  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1       -2.326   0.543   1.628  0.00  0.00    +0.074 C 
ATOM     22  C   LIG    1       -3.796  -1.605  -1.012  0.00  0.00    -0.011 C 
ENDROOT
TORSDOF 0