REMARK  Name = LIG002003
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.325  -0.542   0.872  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        0.992  -1.623   1.673  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        1.738  -2.337   2.314  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -0.467  -1.762   1.615  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -1.278  -2.650   2.294  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -2.649  -2.567   2.063  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.166  -1.611   1.166  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -2.328  -0.715   0.472  0.00  0.00    -0.012 A 
ATOM      9  C   LIG    1       -0.962  -0.811   0.721  0.00  0.00    -0.010 A 
ATOM     10  C   LIG    1        0.169  -0.015   0.156  0.00  0.00    +0.145 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1        5.686   1.238  -1.926  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        4.862   0.764  -1.150  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1        4.261  -0.442  -1.406  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        4.489  -0.844  -2.306  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        3.073  -0.879  -0.865  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1        2.386  -1.704  -1.465  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        2.702  -0.257   0.492  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1        2.997   1.240   0.448  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        4.470   1.456   0.135  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   8  20
ATOM     20  C   LIG    1       -2.881   0.267  -0.464  0.00  0.00    -0.018 A 
ATOM     21  C   LIG    1       -2.655   0.154  -1.844  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1       -3.176   1.096  -2.734  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -3.933   2.163  -2.256  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -4.171   2.288  -0.889  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -3.650   1.346   0.001  0.00  0.00    +0.008 A 
ENDBRANCH   8  20
TORSDOF 2