REMARK  Name = LIG001005
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.293  -0.435  -0.564  0.00  0.00    -0.203 N 
ATOM      2  H   LIG    1        0.968  -1.098  -0.936  0.00  0.00    +0.178 HD
ATOM      3  C   LIG    1        0.568   0.152   0.664  0.00  0.00    +0.265 C 
ATOM      4  O   LIG    1       -0.235   0.668   1.432  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.982   0.055   1.081  0.00  0.00    +0.060 A 
ATOM      6  C   LIG    1        3.040   0.520   0.307  0.00  0.00    +0.051 A 
ATOM      7  C   LIG    1        2.841   1.217  -1.007  0.00  0.00    +0.066 C 
ATOM      8  N   LIG    1        4.333   0.383   0.704  0.00  0.00    -0.251 NA
ATOM      9  C   LIG    1        4.614  -0.179   1.900  0.00  0.00    +0.074 A 
ATOM     10  C   LIG    1        3.586  -0.636   2.754  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        3.891  -1.209   3.999  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        5.214  -1.337   4.408  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        6.236  -0.895   3.576  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        5.940  -0.319   2.329  0.00  0.00    -0.025 A 
ATOM     15  C   LIG    1        7.064   0.159   1.448  0.00  0.00    +0.046 C 
ATOM     16  C   LIG    1        2.260  -0.507   2.326  0.00  0.00    +0.025 A 
ENDBRANCH   3   5
BRANCH   1  18
ATOM     17  C   LIG    1       -1.814   0.369  -0.920  0.00  0.00    +0.142 C 
ATOM     18  N   LIG    1       -0.962  -0.594  -1.090  0.00  0.00    -0.187 NA
BRANCH  17  20
ATOM     19  C   LIG    1       -3.741   1.486  -1.972  0.00  0.00    +0.129 A 
ATOM     20  C   LIG    1       -3.208   0.298  -1.427  0.00  0.00    +0.044 A 
ATOM     21  C   LIG    1       -3.978  -0.903  -1.361  0.00  0.00    -0.006 A 
ATOM     22  C   LIG    1       -5.289  -0.878  -1.899  0.00  0.00    -0.017 A 
ATOM     23  C   LIG    1       -6.093  -2.031  -1.869  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1       -5.631  -3.215  -1.300  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -4.361  -3.259  -0.747  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -5.795   0.304  -2.455  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -3.550  -2.121  -0.774  0.00  0.00    +0.009 A 
ATOM     28  C   LIG    1       -5.036   1.474  -2.487  0.00  0.00    +0.047 A 
BRANCH  19  30
ATOM     29  C   LIG    1       -3.462   3.812  -2.468  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -2.923   2.588  -1.985  0.00  0.00    -0.494 OA
ENDBRANCH  19  30
ENDBRANCH  17  20
ENDBRANCH   1  18
TORSDOF 4