REMARK  Name = BDB003065
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.889   0.073  -0.376  0.00  0.00    +0.123 A 
ATOM      2  C   LIG    1        2.277   0.731   0.717  0.00  0.00    -0.004 A 
ATOM      3  C   LIG    1        2.982   1.897   1.373  0.00  0.00    +0.048 C 
ATOM      4  C   LIG    1        0.994   0.315   1.175  0.00  0.00    -0.018 A 
ATOM      5  C   LIG    1        0.333   1.032   2.328  0.00  0.00    +0.046 C 
ATOM      6  C   LIG    1        0.395  -0.808   0.563  0.00  0.00    +0.109 A 
ATOM      7  C   LIG    1        1.028  -1.468  -0.498  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1        2.260  -1.020  -0.972  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   6   9
ATOM      9  S   LIG    1       -1.171  -1.479   1.114  0.00  0.00    +0.061 S 
ATOM     10  O   LIG    1       -1.162  -1.522   2.561  0.00  0.00    -0.153 OA
ATOM     11  O   LIG    1       -1.455  -2.676   0.347  0.00  0.00    -0.153 OA
BRANCH   9  12
ATOM     12  N   LIG    1       -2.282  -0.297   0.616  0.00  0.00    -0.177 NA
ATOM     13  C   LIG    1       -3.666  -0.469   1.137  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -4.574  -0.362  -0.082  0.00  0.00    +0.018 C 
ATOM     15  C   LIG    1       -3.779   0.512  -1.030  0.00  0.00    +0.018 C 
ATOM     16  C   LIG    1       -2.365  -0.012  -0.838  0.00  0.00    +0.109 C 
ENDBRANCH   9  12
ENDBRANCH   6   9
BRANCH   1  18
ATOM     17  C   LIG    1        4.776  -0.095  -1.839  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        4.097   0.577  -0.785  0.00  0.00    -0.495 OA
ENDBRANCH   1  18
TORSDOF 3