REMARK  Name = LIG000021
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.022  -0.250   0.697  0.00  0.00    -0.180 N 
ATOM      2  C   LIG    1        0.060  -1.058   0.266  0.00  0.00    +0.353 A 
ATOM      3  O   LIG    1        0.084  -1.702  -0.784  0.00  0.00    -0.244 OA
ATOM      4  N   LIG    1        1.153  -1.120   1.133  0.00  0.00    -0.253 N 
ATOM      5  C   LIG    1        1.184  -0.512   2.368  0.00  0.00    +0.293 A 
ATOM      6  O   LIG    1        2.072  -0.606   3.204  0.00  0.00    -0.264 OA
ATOM      7  C   LIG    1       -0.002   0.318   2.684  0.00  0.00    +0.225 A 
ATOM      8  N   LIG    1       -1.023   0.431   1.902  0.00  0.00    -0.146 NA
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1       -5.550   1.841   0.391  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1       -4.483   0.978  -0.217  0.00  0.00    -0.048 A 
ATOM     11  C   LIG    1       -3.281   0.745   0.474  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1       -2.235  -0.036  -0.067  0.00  0.00    +0.071 A 
ATOM     13  C   LIG    1       -2.445  -0.563  -1.349  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1       -3.632  -0.325  -2.054  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -4.645   0.445  -1.494  0.00  0.00    +0.003 A 
ENDBRANCH   1  12
BRANCH   7  16
ATOM     16  C   LIG    1       -0.138   1.082   3.897  0.00  0.00    +0.127 C 
ATOM     17  N   LIG    1       -0.258   1.701   4.874  0.00  0.00    -0.189 NA
ENDBRANCH   7  16
BRANCH   4  18
ATOM     18  C   LIG    1        2.323  -1.889   0.730  0.00  0.00    +0.165 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.344  -1.018   0.030  0.00  0.00    -0.027 A 
ATOM     20  C   LIG    1        4.368  -0.394   0.758  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        5.292   0.431   0.116  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        5.201   0.645  -1.258  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        4.185   0.035  -1.991  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        3.260  -0.791  -1.351  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 4