REMARK  Name = LIG001652
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.584  -0.632  -3.117  0.00  0.00    +0.072 S 
ATOM      2  O   LIG    1        1.090  -1.844  -3.727  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1        0.674   0.643  -3.793  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1        1.381  -0.470  -1.531  0.00  0.00    +0.109 A 
ATOM      5  C   LIG    1        1.468   0.789  -0.925  0.00  0.00    +0.031 A 
ATOM      6  C   LIG    1        2.075   0.911   0.325  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        2.615  -0.222   0.942  0.00  0.00    +0.105 A 
ATOM      8  C   LIG    1        2.545  -1.479   0.330  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1        1.932  -1.603  -0.918  0.00  0.00    +0.031 A 
BRANCH   7  10
ATOM     10  S   LIG    1        3.369  -0.061   2.541  0.00  0.00    +0.056 S 
ATOM     11  O   LIG    1        3.514  -1.381   3.110  0.00  0.00    -0.153 OA
ATOM     12  O   LIG    1        2.724   1.022   3.243  0.00  0.00    -0.153 OA
BRANCH  10  13
ATOM     13  N   LIG    1        4.925   0.433   2.132  0.00  0.00    -0.204 NA
ATOM     14  H   LIG    1        5.030   0.683   1.150  0.00  0.00    +0.144 HD
ATOM     15  H   LIG    1        5.590  -0.287   2.420  0.00  0.00    +0.144 HD
ENDBRANCH  10  13
ENDBRANCH   7  10
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  N   LIG    1       -1.020  -0.953  -2.709  0.00  0.00    -0.214 N 
ATOM     17  H   LIG    1       -1.233  -1.945  -2.643  0.00  0.00    +0.174 HD
BRANCH  16  22
ATOM     18  C   LIG    1       -3.225   0.533   2.877  0.00  0.00    +0.046 C 
ATOM     19  C   LIG    1       -2.655  -0.065   1.641  0.00  0.00    -0.025 A 
ATOM     20  C   LIG    1       -2.572   0.554   0.354  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -1.962  -0.354  -0.515  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1       -1.712  -0.049  -1.860  0.00  0.00    +0.072 A 
ATOM     23  C   LIG    1       -2.086   1.214  -2.328  0.00  0.00    +0.026 A 
ATOM     24  C   LIG    1       -2.706   2.134  -1.487  0.00  0.00    +0.003 A 
ATOM     25  N   LIG    1       -1.683  -1.482   0.224  0.00  0.00    -0.359 N 
ATOM     26  H   LIG    1       -1.227  -2.308  -0.136  0.00  0.00    +0.165 HD
ATOM     27  C   LIG    1       -2.954   1.816  -0.147  0.00  0.00    +0.010 A 
ATOM     28  C   LIG    1       -2.094  -1.319   1.518  0.00  0.00    +0.087 A 
ENDBRANCH  16  22
ENDBRANCH   1  16
TORSDOF 5