REMARK  Name = LIG000458
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.692  -1.072   0.395  0.00  0.00    +0.030 A 
ATOM      2  C   LIG    1       -1.681  -0.160   0.154  0.00  0.00    +0.003 A 
ATOM      3  C   LIG    1       -0.203  -0.336   0.243  0.00  0.00    +0.146 C 
ATOM      4  N   LIG    1        0.305   0.987  -0.102  0.00  0.00    -0.282 N 
ATOM      5  C   LIG    1       -0.715   1.851  -0.474  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1       -0.622   2.994  -0.878  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -1.978   1.132  -0.279  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1       -3.270   1.583  -0.464  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -4.301   0.689  -0.181  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -4.013  -0.619   0.261  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        1.709   1.272  -0.391  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1        2.199   0.476  -1.613  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        1.562   0.368  -2.659  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        3.401  -0.169  -1.474  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        3.704  -0.661  -2.305  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        3.803  -0.781  -0.317  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        4.574  -1.736  -0.342  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        3.159  -0.305   0.961  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1        2.623   1.109   0.824  0.00  0.00    +0.041 C 
ENDBRANCH   4  11
BRANCH   1  20
ATOM     20  N   LIG    1       -2.412  -2.324   0.959  0.00  0.00    -0.358 N 
ATOM     21  H   LIG    1       -2.245  -2.241   1.961  0.00  0.00    +0.142 HD
ATOM     22  H   LIG    1       -3.171  -2.986   0.811  0.00  0.00    +0.142 HD
ENDBRANCH   1  20
TORSDOF 2