REMARK  Name = BDB046821
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.742  -0.095  -0.250  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1       -0.113  -1.124  -0.680  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1       -1.479  -0.976  -0.495  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1       -2.590  -1.914  -0.858  0.00  0.00    +0.133 C 
ATOM      5  C   LIG    1       -3.835  -1.155  -0.385  0.00  0.00    +0.224 C 
ATOM      6  N   LIG    1       -3.400   0.052   0.167  0.00  0.00    -0.274 N 
ATOM      7  C   LIG    1       -4.268   1.051   0.730  0.00  0.00    +0.138 C 
ATOM      8  O   LIG    1       -4.986  -1.553  -0.483  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1       -2.009   0.164   0.106  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1       -1.200   1.191   0.545  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1        0.182   1.052   0.364  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  16
ATOM     12  C   LIG    1        5.453   1.138   0.609  0.00  0.00    +0.073 C 
ATOM     13  C   LIG    1        4.292   0.423   0.014  0.00  0.00    +0.076 A 
ATOM     14  S   LIG    1        4.548  -0.813  -1.150  0.00  0.00    -0.080 S 
ATOM     15  C   LIG    1        2.851  -1.039  -1.261  0.00  0.00    +0.075 A 
ATOM     16  C   LIG    1        2.195  -0.174  -0.407  0.00  0.00    +0.078 A 
ATOM     17  N   LIG    1        3.035   0.667   0.312  0.00  0.00    -0.244 NA
ENDBRANCH   1  16
TORSDOF 1