REMARK  Name = LIG001139
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.183   1.790  -2.094  0.00  0.00    -0.137 N 
ATOM      2  H   LIG    1       -0.176   2.748  -2.049  0.00  0.00    +0.197 HD
ENDROOT
BRANCH   1   3
ATOM      3  S   LIG    1       -1.002   0.762  -2.782  0.00  0.00    +0.086 S 
ATOM      4  O   LIG    1       -1.850   1.600  -3.605  0.00  0.00    -0.149 OA
ATOM      5  O   LIG    1       -0.336  -0.404  -3.327  0.00  0.00    -0.149 OA
BRANCH   3  10
ATOM      6  C   LIG    1       -4.329  -1.065   1.958  0.00  0.00    +0.044 C 
ATOM      7  C   LIG    1       -3.485  -0.594   0.811  0.00  0.00    -0.050 A 
ATOM      8  C   LIG    1       -2.380  -1.347   0.390  0.00  0.00    +0.005 A 
ATOM      9  C   LIG    1       -1.612  -0.929  -0.698  0.00  0.00    +0.029 A 
ATOM     10  C   LIG    1       -1.949   0.250  -1.367  0.00  0.00    +0.110 A 
ATOM     11  C   LIG    1       -3.065   0.995  -0.978  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1       -3.830   0.570   0.111  0.00  0.00    +0.005 A 
ENDBRANCH   3  10
ENDBRANCH   1   3
BRANCH   1  13
ATOM     13  N   LIG    1        0.923   1.334  -0.883  0.00  0.00    -0.174 NA
ATOM     14  C   LIG    1        1.885   0.511  -1.161  0.00  0.00    +0.143 C 
BRANCH  14  15
ATOM     15  C   LIG    1        2.755  -0.123  -0.147  0.00  0.00    +0.037 A 
ATOM     16  C   LIG    1        2.601   0.041   1.236  0.00  0.00    +0.126 A 
ATOM     17  C   LIG    1        3.470  -0.601   2.122  0.00  0.00    +0.047 A 
ATOM     18  C   LIG    1        4.496  -1.410   1.632  0.00  0.00    +0.019 A 
ATOM     19  C   LIG    1        4.647  -1.577   0.257  0.00  0.00    +0.019 A 
ATOM     20 BR   LIG    1        6.036  -2.676  -0.405  0.00  0.00    -0.050 Br
ATOM     21  C   LIG    1        3.785  -0.941  -0.635  0.00  0.00    +0.028 A 
BRANCH  16  22
ATOM     22  O   LIG    1        1.602   0.819   1.744  0.00  0.00    -0.506 OA
ATOM     23  H   LIG    1        1.637   0.824   2.713  0.00  0.00    +0.292 HD
ENDBRANCH  16  22
ENDBRANCH  14  15
ENDBRANCH   1  13
TORSDOF 5