REMARK  Name = LIG000008
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.985  -0.403   0.267  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1       -0.632  -0.266   0.095  0.00  0.00    +0.256 C 
ATOM      3  O   LIG    1       -0.041   0.656  -0.435  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1       -0.008  -1.462   0.672  0.00  0.00    +0.065 A 
ATOM      5  C   LIG    1       -1.030  -2.234   1.202  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1       -0.798  -3.439   1.839  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        0.526  -3.869   1.931  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.572  -3.091   1.393  0.00  0.00    +0.017 A 
ATOM      9  C   LIG    1        1.311  -1.870   0.754  0.00  0.00    +0.038 A 
ATOM     10  C   LIG    1       -2.290  -1.537   0.964  0.00  0.00    +0.255 C 
ATOM     11  O   LIG    1       -3.372  -1.932   1.355  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -6.410   2.849   0.323  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -5.384   2.186   0.200  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -4.418   2.188   1.175  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -4.638   2.712   2.012  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -3.265   1.438   1.223  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -2.548   1.460   2.222  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -2.928   0.659  -0.053  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1       -4.210   0.178  -0.728  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -5.089   1.379  -1.044  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   9  21
ATOM     21  C   LIG    1        2.385  -1.100   0.216  0.00  0.00    -0.060 C 
ATOM     22  C   LIG    1        3.273  -0.434  -0.243  0.00  0.00    -0.061 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.299   0.390  -0.802  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1        5.625  -0.048  -0.814  0.00  0.00    +0.017 A 
ATOM     25  C   LIG    1        6.622   0.763  -1.362  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        6.294   2.009  -1.896  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        4.970   2.447  -1.884  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        3.972   1.638  -1.337  0.00  0.00    +0.017 A 
ENDBRANCH  22  23
ENDBRANCH   9  21
TORSDOF 3