REMARK  Name = BDB056243
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.710   0.540   0.465  0.00  0.00    +0.220 C 
ATOM      2  N   LIG    1        0.519   0.299  -0.128  0.00  0.00    -0.255 N 
ATOM      3  H   LIG    1        0.553  -0.221  -0.990  0.00  0.00    +0.158 HD
ATOM      4  O   LIG    1       -0.918   1.169   1.493  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.691   0.757   0.427  0.00  0.00    +0.224 A 
ATOM      6  N   LIG    1        2.906   0.537  -0.135  0.00  0.00    -0.289 N 
ATOM      7  C   LIG    1        3.382  -0.105  -1.332  0.00  0.00    +0.138 C 
ATOM      8  C   LIG    1        4.897  -0.284  -1.161  0.00  0.00    +0.099 C 
ATOM      9  S   LIG    1        5.432   0.950   0.093  0.00  0.00    -0.084 S 
ATOM     10  C   LIG    1        3.826   1.132   0.657  0.00  0.00    +0.193 A 
ATOM     11  N   LIG    1        3.256   1.700   1.678  0.00  0.00    -0.121 NA
ATOM     12  N   LIG    1        1.890   1.456   1.532  0.00  0.00    -0.112 NA
ENDBRANCH   2   5
BRANCH   1  13
ATOM     13  C   LIG    1       -1.840  -0.069  -0.359  0.00  0.00    +0.099 C 
BRANCH  13  15
ATOM     14  C   LIG    1       -4.322  -0.301  -0.683  0.00  0.00    +0.008 C 
ATOM     15  C   LIG    1       -3.212  -0.017   0.331  0.00  0.00    -0.008 C 
ATOM     16  C   LIG    1       -3.296  -1.024   1.481  0.00  0.00    +0.008 C 
ENDBRANCH  13  15
ENDBRANCH   1  13
TORSDOF 3