REMARK  Name = LIG001923
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.462   2.777  -0.590  0.00  0.00    -0.214 N 
ATOM      2  H   LIG    1       -0.703   3.768  -0.626  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1  10
ATOM      3  C   LIG    1       -4.843  -0.982  -0.648  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -3.686  -0.020  -0.580  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -2.630  -0.138   0.365  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1       -1.596   0.806   0.345  0.00  0.00    +0.071 A 
ATOM      7  N   LIG    1       -0.720   0.480   1.358  0.00  0.00    -0.358 N 
ATOM      8  H   LIG    1        0.120   1.003   1.569  0.00  0.00    +0.165 HD
ATOM      9  C   LIG    1       -1.140  -0.647   2.008  0.00  0.00    +0.102 A 
ATOM     10  C   LIG    1       -1.555   1.864  -0.570  0.00  0.00    +0.072 A 
ATOM     11  C   LIG    1       -2.588   1.969  -1.497  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -2.319  -1.053   1.421  0.00  0.00    +0.077 A 
ATOM     13  C   LIG    1       -3.634   1.048  -1.501  0.00  0.00    +0.006 A 
BRANCH  12  14
ATOM     14  C   LIG    1       -3.065  -2.202   1.831  0.00  0.00    +0.101 C 
ATOM     15  N   LIG    1       -3.667  -3.137   2.165  0.00  0.00    -0.191 NA
ENDBRANCH  12  14
ENDBRANCH   1  10
BRANCH   1  16
ATOM     16  S   LIG    1        0.789   2.472  -1.697  0.00  0.00    +0.072 S 
ATOM     17  O   LIG    1        0.239   1.924  -2.917  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1        1.596   3.674  -1.718  0.00  0.00    -0.150 OA
BRANCH  16  19
ATOM     19  C   LIG    1        1.727   1.216  -0.867  0.00  0.00    +0.109 A 
ATOM     20  C   LIG    1        2.626   1.580   0.137  0.00  0.00    +0.029 A 
ATOM     21  C   LIG    1        3.345   0.587   0.804  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        3.185  -0.767   0.464  0.00  0.00    -0.034 A 
ATOM     23  C   LIG    1        2.287  -1.111  -0.558  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1        1.563  -0.124  -1.229  0.00  0.00    +0.029 A 
BRANCH  22  25
ATOM     25  C   LIG    1        3.956  -1.837   1.198  0.00  0.00    +0.113 C 
BRANCH  25  26
ATOM     26  N   LIG    1        5.393  -1.603   1.134  0.00  0.00    -0.326 NA
ATOM     27  H   LIG    1        5.679  -1.581   0.155  0.00  0.00    +0.119 HD
ATOM     28  H   LIG    1        5.879  -2.393   1.554  0.00  0.00    +0.119 HD
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 6