REMARK  Name = LIG000533
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.333  -0.089  -0.898  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -1.076   0.199   0.261  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1       -2.449   0.357   0.154  0.00  0.00    -0.016 A 
ATOM      4  C   LIG    1       -3.464   0.638   1.210  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1       -4.696   0.774   0.445  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -4.514   0.438  -0.890  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1       -5.354   0.312  -1.759  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -3.075   0.230  -1.081  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -2.380  -0.054  -2.238  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -0.992  -0.210  -2.138  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -5.995   0.839   1.106  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -6.558  -0.567   1.366  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -5.852  -1.549   1.593  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -7.928  -0.661   1.459  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -8.294  -1.580   1.667  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -8.845   0.359   1.433  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1      -10.028   0.152   1.688  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -8.310   1.748   1.173  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -7.020   1.700   0.368  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  21
ATOM     20  C   LIG    1        1.987  -0.571  -1.703  0.00  0.00    +0.248 C 
ATOM     21  N   LIG    1        1.061  -0.236  -0.737  0.00  0.00    -0.282 N 
ATOM     22  H   LIG    1        1.411  -0.130   0.207  0.00  0.00    +0.155 HD
ATOM     23  O   LIG    1        1.772  -0.867  -2.871  0.00  0.00    -0.270 OA
BRANCH  20  29
ATOM     24  C   LIG    1        7.934  -0.174   0.860  0.00  0.00    +0.124 A 
ATOM     25  C   LIG    1        7.276  -1.196   0.176  0.00  0.00    +0.091 A 
ATOM     26  C   LIG    1        5.958  -1.013  -0.255  0.00  0.00    +0.132 A 
ATOM     27  O   LIG    1        5.378  -2.075  -0.896  0.00  0.00    -0.486 OA
ATOM     28  C   LIG    1        4.203  -1.784  -1.677  0.00  0.00    +0.269 C 
ATOM     29  C   LIG    1        3.381  -0.630  -1.187  0.00  0.00    +0.052 C 
ATOM     30  C   LIG    1        3.887   0.328  -0.399  0.00  0.00    +0.023 C 
ATOM     31  C   LIG    1        5.278   0.181   0.012  0.00  0.00    +0.017 A 
ATOM     32  C   LIG    1        5.936   1.202   0.700  0.00  0.00    +0.015 A 
ATOM     33  C   LIG    1        7.258   1.023   1.116  0.00  0.00    +0.046 A 
BRANCH  24  35
ATOM     34  C   LIG    1        9.954  -1.406   1.077  0.00  0.00    +0.277 C 
ATOM     35  O   LIG    1        9.218  -0.216   1.329  0.00  0.00    -0.495 OA
ENDBRANCH  24  35
ENDBRANCH  20  29
ENDBRANCH   1  21
TORSDOF 4