REMARK  Name = LIG000209
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.198  -0.473  -0.735  0.00  0.00    +0.113 A 
ATOM      2  N   LIG    1        0.418  -1.151  -1.634  0.00  0.00    -0.129 NA
ATOM      3  N   LIG    1       -0.852  -0.971  -1.297  0.00  0.00    -0.064 NA
ATOM      4  N   LIG    1       -0.872  -0.191  -0.201  0.00  0.00    -0.239 N 
ATOM      5  C   LIG    1        0.392   0.139   0.197  0.00  0.00    +0.139 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -2.126   0.152   0.445  0.00  0.00    +0.195 C 
ATOM      7  C   LIG    1       -2.801   1.304  -0.280  0.00  0.00    +0.244 C 
ATOM      8  O   LIG    1       -2.191   2.277  -0.717  0.00  0.00    -0.273 OA
ATOM      9  N   LIG    1       -4.177   1.278  -0.331  0.00  0.00    -0.255 N 
ATOM     10  H   LIG    1       -4.611   2.073  -0.784  0.00  0.00    +0.158 HD
ATOM     11  C   LIG    1       -5.019   0.505   0.428  0.00  0.00    +0.219 C 
ATOM     12  O   LIG    1       -6.213   0.768   0.519  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -4.375  -0.610   1.217  0.00  0.00    +0.099 C 
ATOM     14  C   LIG    1       -3.069  -1.049   0.576  0.00  0.00    +0.045 C 
ENDBRANCH   4   6
BRANCH   1  19
ATOM     15  C   LIG    1        6.051   0.626   0.399  0.00  0.00    +0.051 C 
ATOM     16  C   LIG    1        4.854   0.057  -0.281  0.00  0.00    -0.013 A 
ATOM     17  S   LIG    1        5.051  -0.950  -1.651  0.00  0.00    -0.101 S 
ATOM     18  C   LIG    1        3.362  -1.159  -1.818  0.00  0.00    +0.055 A 
ATOM     19  C   LIG    1        2.654  -0.481  -0.849  0.00  0.00    +0.011 A 
ATOM     20  C   LIG    1        3.521   0.224   0.040  0.00  0.00    +0.021 A 
ENDBRANCH   1  19
TORSDOF 2