REMARK  Name = BDB028785
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.792  -1.936  -0.492  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -2.849  -1.158  -0.383  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -1.593  -1.510  -0.807  0.00  0.00    -0.255 N 
ATOM      4  H   LIG    1       -1.535  -2.408  -1.267  0.00  0.00    +0.158 HD
ATOM      5  C   LIG    1       -0.542  -0.660  -1.055  0.00  0.00    +0.233 C 
ATOM      6  O   LIG    1        0.380  -1.007  -1.791  0.00  0.00    -0.274 OA
ATOM      7  C   LIG    1       -0.596   0.711  -0.398  0.00  0.00    +0.138 C 
ATOM      8  C   LIG    1       -2.040   1.213  -0.396  0.00  0.00    +0.033 C 
ATOM      9  C   LIG    1       -2.999   0.211   0.234  0.00  0.00    +0.098 C 
ENDROOT
BRANCH   7  10
ATOM     10  S   LIG    1        0.081   0.624   1.298  0.00  0.00    -0.105 S 
BRANCH  10  11
ATOM     11  C   LIG    1        1.755   0.198   0.984  0.00  0.00    +0.046 A 
ATOM     12  S   LIG    1        2.439  -1.240   1.606  0.00  0.00    -0.090 S 
ATOM     13  C   LIG    1        3.957  -0.899   0.894  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        3.948   0.296   0.209  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        2.674   0.935   0.268  0.00  0.00    +0.022 A 
ENDBRANCH  10  11
ENDBRANCH   7  10
TORSDOF 2