REMARK  Name = LIG000166
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.909  -0.661  -0.330  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1        2.477   0.628   0.213  0.00  0.00    -0.014 A 
ATOM      3  C   LIG    1        3.819   0.735   0.656  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1        4.231   1.917   1.298  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1        3.370   3.003   1.447  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1        2.077   2.928   0.950  0.00  0.00    +0.017 A 
ATOM      7  C   LIG    1        1.627   1.754   0.336  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   3   8
ATOM      8  N   LIG    1        4.803  -0.284   0.439  0.00  0.00    -0.254 N 
ATOM      9  C   LIG    1        5.728  -0.635   1.423  0.00  0.00    +0.313 C 
ATOM     10  O   LIG    1        5.744  -0.226   2.581  0.00  0.00    -0.252 OA
ATOM     11  N   LIG    1        6.699  -1.518   1.016  0.00  0.00    -0.240 N 
ATOM     12  H   LIG    1        7.357  -1.782   1.736  0.00  0.00    +0.159 HD
ATOM     13  C   LIG    1        7.171  -1.624  -0.263  0.00  0.00    +0.222 C 
ATOM     14  O   LIG    1        8.265  -2.126  -0.504  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1        6.322  -0.997  -1.331  0.00  0.00    +0.115 C 
ATOM     16  C   LIG    1        4.885  -0.950  -0.855  0.00  0.00    +0.124 C 
ENDBRANCH   3   8
BRANCH   7  17
ATOM     17  C   LIG    1        0.277   1.741  -0.152  0.00  0.00    -0.064 C 
ATOM     18  C   LIG    1       -0.853   1.731  -0.561  0.00  0.00    -0.078 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.229   1.713  -1.057  0.00  0.00    +0.197 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -3.000   0.743  -0.331  0.00  0.00    -0.270 N 
ATOM     21  H   LIG    1       -2.759   0.510   0.621  0.00  0.00    +0.153 HD
ATOM     22  C   LIG    1       -4.254   0.401  -0.728  0.00  0.00    +0.401 C 
ATOM     23  O   LIG    1       -4.776   0.758  -1.771  0.00  0.00    -0.226 OA
BRANCH  22  24
ATOM     24  O   LIG    1       -4.814  -0.376   0.226  0.00  0.00    -0.445 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -6.162  -0.890   0.066  0.00  0.00    +0.107 C 
ATOM     26  C   LIG    1       -7.188   0.246   0.003  0.00  0.00    +0.055 C 
ATOM     27  C   LIG    1       -6.419  -1.713   1.337  0.00  0.00    +0.055 C 
ATOM     28  C   LIG    1       -6.261  -1.821  -1.148  0.00  0.00    +0.055 C 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   7  17
TORSDOF 6