REMARK  Name = LIG001981
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.227  -0.440  -1.072  0.00  0.00    +0.113 A 
ATOM      2  N   LIG    1        0.811  -0.888  -1.845  0.00  0.00    -0.129 NA
ATOM      3  N   LIG    1        1.938  -0.698  -1.173  0.00  0.00    -0.064 NA
ATOM      4  N   LIG    1        1.617  -0.135   0.005  0.00  0.00    -0.239 N 
ATOM      5  C   LIG    1        0.269   0.052   0.113  0.00  0.00    +0.139 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        2.643   0.224   0.964  0.00  0.00    +0.195 C 
ATOM      7  C   LIG    1        3.359  -1.014   1.459  0.00  0.00    +0.244 C 
ATOM      8  O   LIG    1        2.862  -1.764   2.300  0.00  0.00    -0.273 OA
ATOM      9  N   LIG    1        4.601  -1.278   0.937  0.00  0.00    -0.255 N 
ATOM     10  H   LIG    1        5.066  -2.103   1.295  0.00  0.00    +0.158 HD
ATOM     11  C   LIG    1        5.353  -0.494   0.101  0.00  0.00    +0.219 C 
ATOM     12  O   LIG    1        6.512  -0.793  -0.173  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        4.677   0.726  -0.475  0.00  0.00    +0.099 C 
ATOM     14  C   LIG    1        3.625   1.288   0.471  0.00  0.00    +0.045 C 
ENDBRANCH   4   6
BRANCH   1  18
ATOM     15  C   LIG    1       -3.932  -0.273  -1.452  0.00  0.00    +0.097 A 
ATOM     16  S   LIG    1       -3.677  -0.965  -3.000  0.00  0.00    -0.090 S 
ATOM     17  C   LIG    1       -1.984  -1.021  -2.774  0.00  0.00    +0.056 A 
ATOM     18  C   LIG    1       -1.605  -0.522  -1.548  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1       -2.732  -0.091  -0.784  0.00  0.00    +0.032 A 
BRANCH  15  20
ATOM     20  C   LIG    1       -5.285   0.033  -1.022  0.00  0.00    +0.346 C 
ATOM     21  O   LIG    1       -6.314  -0.149  -1.662  0.00  0.00    -0.244 OA
BRANCH  20  23
ATOM     22  C   LIG    1       -6.543   0.907   0.752  0.00  0.00    +0.280 C 
ATOM     23  O   LIG    1       -5.255   0.572   0.234  0.00  0.00    -0.464 OA
ENDBRANCH  20  23
ENDBRANCH  15  20
ENDBRANCH   1  18
TORSDOF 4