REMARK  Name = LIG001223
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.695  -0.912  -0.022  0.00  0.00    +0.031 A 
ATOM      2  C   LIG    1        0.518  -0.653   0.709  0.00  0.00    +0.037 A 
ATOM      3  C   LIG    1       -0.648  -0.359   0.026  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -1.989  -0.063   0.526  0.00  0.00    +0.255 C 
ATOM      5  N   LIG    1       -2.772   0.178  -0.570  0.00  0.00    -0.222 N 
ATOM      6  C   LIG    1       -2.073  -0.004  -1.733  0.00  0.00    +0.254 C 
ATOM      7  O   LIG    1       -2.464   0.083  -2.881  0.00  0.00    -0.270 OA
ATOM      8  O   LIG    1       -2.295  -0.058   1.703  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -0.702  -0.328  -1.349  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1        0.408  -0.594  -2.117  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        1.601  -0.890  -1.439  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1       -4.213   0.378  -0.540  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1       -4.904  -0.959  -0.253  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1       -4.396  -2.056  -0.474  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -6.196  -0.872   0.217  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -6.661  -1.752   0.395  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -6.882   0.255   0.597  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -8.019   0.182   1.053  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -6.191   1.579   0.362  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1       -4.679   1.438   0.455  0.00  0.00    +0.041 C 
ENDBRANCH   5  12
BRANCH   1  25
ATOM     21  C   LIG    1        6.242   1.350   0.064  0.00  0.00    +0.105 C 
ATOM     22  N   LIG    1        5.414   0.258   0.569  0.00  0.00    -0.302 NA
ATOM     23  C   LIG    1        4.996  -0.638  -0.533  0.00  0.00    +0.103 C 
ATOM     24  C   LIG    1        4.052  -1.769  -0.056  0.00  0.00    +0.120 C 
ATOM     25  N   LIG    1        2.873  -1.228   0.655  0.00  0.00    -0.327 N 
ATOM     26  C   LIG    1        3.283  -0.341   1.773  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1        4.218   0.784   1.265  0.00  0.00    +0.103 C 
ENDBRANCH   1  25
TORSDOF 2