REMARK  Name = BDB060983
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.095  -0.419   1.089  0.00  0.00    +0.032 A 
ATOM      2  C   LIG    1       -2.114   0.434   0.505  0.00  0.00    +0.005 A 
ATOM      3  C   LIG    1       -1.393  -0.000  -0.647  0.00  0.00    +0.010 A 
ATOM      4  C   LIG    1       -0.424   0.889  -1.204  0.00  0.00    +0.116 A 
ATOM      5  C   LIG    1       -0.189   2.159  -0.655  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1       -0.889   2.567   0.466  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1       -1.682  -1.298  -1.143  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -2.599  -2.146  -0.525  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -1.831   1.715   1.037  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -3.281  -1.714   0.599  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1       -3.765  -0.108   2.297  0.00  0.00    -0.357 N 
ATOM     12  H   LIG    1       -3.231  -0.453   3.093  0.00  0.00    +0.142 HD
ATOM     13  H   LIG    1       -3.940   0.885   2.406  0.00  0.00    +0.142 HD
ENDBRANCH   1  11
BRANCH   4  14
ATOM     14  S   LIG    1        0.582   0.443  -2.617  0.00  0.00    +0.073 S 
ATOM     15  O   LIG    1        1.409   1.581  -2.967  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1       -0.274  -0.166  -3.613  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  N   LIG    1        1.585  -0.780  -2.016  0.00  0.00    -0.216 N 
ATOM     18  H   LIG    1        1.197  -1.709  -2.161  0.00  0.00    +0.174 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.324  -0.548  -0.822  0.00  0.00    +0.048 A 
ATOM     20  C   LIG    1        2.036  -1.314   0.309  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1        2.726  -1.084   1.501  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        3.704  -0.092   1.560  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        3.995   0.669   0.428  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        3.304   0.441  -0.763  0.00  0.00    +0.024 A 
ENDBRANCH  17  19
ENDBRANCH  14  17
ENDBRANCH   4  14
TORSDOF 4