REMARK  Name = LIG000989
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.390  -0.505  -0.604  0.00  0.00    -0.181 N 
ATOM      2  C   LIG    1       -0.749   0.211  -1.040  0.00  0.00    +0.353 A 
ATOM      3  O   LIG    1       -0.730   1.363  -1.478  0.00  0.00    -0.244 OA
ATOM      4  N   LIG    1       -1.960  -0.479  -0.978  0.00  0.00    -0.253 N 
ATOM      5  C   LIG    1       -2.066  -1.796  -0.598  0.00  0.00    +0.290 A 
ATOM      6  O   LIG    1       -3.090  -2.467  -0.586  0.00  0.00    -0.265 OA
ATOM      7  C   LIG    1       -0.797  -2.445  -0.178  0.00  0.00    +0.232 A 
ATOM      8  N   LIG    1        0.340  -1.822  -0.189  0.00  0.00    -0.150 NA
ENDROOT
BRANCH   1  14
ATOM      9  C   LIG    1        5.788   1.628  -0.347  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1        4.399   1.057  -0.409  0.00  0.00    -0.047 A 
ATOM     11  C   LIG    1        4.148  -0.301  -0.162  0.00  0.00    -0.046 A 
ATOM     12  C   LIG    1        5.260  -1.258   0.170  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1        2.824  -0.781  -0.235  0.00  0.00    +0.031 A 
ATOM     14  C   LIG    1        1.726   0.049  -0.547  0.00  0.00    +0.071 A 
ATOM     15  C   LIG    1        2.011   1.400  -0.777  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1        3.321   1.895  -0.711  0.00  0.00    +0.006 A 
ENDBRANCH   1  14
BRANCH   7  17
ATOM     17  C   LIG    1       -0.787  -3.884   0.282  0.00  0.00    +0.363 C 
ATOM     18  O   LIG    1       -0.616  -4.834  -0.454  0.00  0.00    -0.243 OA
BRANCH  17  19
ATOM     19  O   LIG    1       -0.960  -3.987   1.604  0.00  0.00    -0.476 OA
ATOM     20  H   LIG    1       -0.921  -4.950   1.786  0.00  0.00    +0.295 HD
ENDBRANCH  17  19
ENDBRANCH   7  17
BRANCH   4  21
ATOM     21  C   LIG    1       -3.181   0.218  -1.355  0.00  0.00    +0.165 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.847   0.867  -0.161  0.00  0.00    -0.028 A 
ATOM     23  C   LIG    1       -3.485   2.162   0.239  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -4.082   2.752   1.355  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.042   2.053   2.084  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -5.405   0.763   1.700  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -4.809   0.172   0.585  0.00  0.00    +0.005 A 
ENDBRANCH  21  22
ENDBRANCH   4  21
TORSDOF 5