REMARK  Name = LIG000712
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.409  -0.303   0.376  0.00  0.00    +0.033 A 
ATOM      2  C   LIG    1        2.966   0.850   1.025  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1        1.640   0.956   1.464  0.00  0.00    +0.016 A 
ATOM      4  C   LIG    1        0.740  -0.089   1.251  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1        1.179  -1.248   0.611  0.00  0.00    +0.016 A 
ATOM      6  C   LIG    1        2.504  -1.354   0.176  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        7.041  -0.152  -0.632  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1        5.774   0.410  -0.037  0.00  0.00    +0.214 C 
ATOM      9  N   LIG    1        4.725  -0.490  -0.092  0.00  0.00    -0.286 N 
ATOM     10  H   LIG    1        4.916  -1.382  -0.529  0.00  0.00    +0.155 HD
ATOM     11  O   LIG    1        5.744   1.554   0.402  0.00  0.00    -0.276 OA
ENDBRANCH   1   9
BRANCH   4  12
ATOM     12  S   LIG    1       -0.943   0.049   1.810  0.00  0.00    -0.124 S 
BRANCH  12  13
ATOM     13  C   LIG    1       -1.744   0.425   0.207  0.00  0.00    +0.087 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -3.268   0.308   0.314  0.00  0.00    +0.086 C 
ATOM     15  C   LIG    1       -3.737  -1.133   0.166  0.00  0.00    +0.223 C 
ATOM     16  O   LIG    1       -2.992  -2.108   0.156  0.00  0.00    -0.275 OA
ATOM     17  N   LIG    1       -5.094  -1.295   0.022  0.00  0.00    -0.256 N 
ATOM     18  H   LIG    1       -5.388  -2.257  -0.082  0.00  0.00    +0.157 HD
ATOM     19  C   LIG    1       -5.923  -0.398  -0.601  0.00  0.00    +0.219 C 
ATOM     20  O   LIG    1       -6.985  -0.757  -1.102  0.00  0.00    -0.275 OA
ATOM     21  C   LIG    1       -5.465   1.040  -0.618  0.00  0.00    +0.097 C 
ATOM     22  C   LIG    1       -3.954   1.133  -0.779  0.00  0.00    +0.023 C 
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   4  12
TORSDOF 4