REMARK  Name = LIG001801
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.043  -0.727   0.898  0.00  0.00    +0.117 A 
ATOM      2  N   LIG    1        0.363  -0.374  -0.385  0.00  0.00    -0.129 NA
ATOM      3  N   LIG    1       -0.679   0.251  -0.918  0.00  0.00    -0.064 NA
ATOM      4  N   LIG    1       -1.647   0.286   0.014  0.00  0.00    -0.239 N 
ATOM      5  C   LIG    1       -1.237  -0.300   1.176  0.00  0.00    +0.139 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -2.912   0.947  -0.253  0.00  0.00    +0.195 C 
ATOM      7  C   LIG    1       -3.843   0.022  -1.018  0.00  0.00    +0.244 C 
ATOM      8  O   LIG    1       -3.962  -1.176  -0.768  0.00  0.00    -0.273 OA
ATOM      9  N   LIG    1       -4.665   0.610  -1.954  0.00  0.00    -0.255 N 
ATOM     10  H   LIG    1       -5.304  -0.016  -2.426  0.00  0.00    +0.158 HD
ATOM     11  C   LIG    1       -4.959   1.945  -2.071  0.00  0.00    +0.219 C 
ATOM     12  O   LIG    1       -5.923   2.328  -2.726  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -4.101   2.893  -1.268  0.00  0.00    +0.099 C 
ATOM     14  C   LIG    1       -2.739   2.284  -0.981  0.00  0.00    +0.045 C 
ENDBRANCH   4   6
BRANCH   1  16
ATOM     15  C   LIG    1        2.302  -1.830   1.393  0.00  0.00    +0.137 A 
ATOM     16  C   LIG    1        0.982  -1.435   1.772  0.00  0.00    +0.052 A 
ATOM     17  C   LIG    1        0.710  -1.801   3.077  0.00  0.00    +0.059 A 
ATOM     18  S   LIG    1        2.014  -2.630   3.815  0.00  0.00    -0.101 S 
ATOM     19  C   LIG    1        2.954  -2.521   2.392  0.00  0.00    +0.091 A 
BRANCH  15  20
ATOM     20  O   LIG    1        2.852  -1.652   0.167  0.00  0.00    -0.488 OA
BRANCH  20  22
ATOM     21  C   LIG    1        5.159  -1.554  -0.455  0.00  0.00    +0.051 C 
ATOM     22  C   LIG    1        4.001  -0.793   0.181  0.00  0.00    +0.167 C 
ATOM     23  C   LIG    1        3.672   0.458  -0.627  0.00  0.00    +0.051 C 
ENDBRANCH  20  22
ENDBRANCH  15  20
ENDBRANCH   1  16
TORSDOF 4