REMARK  Name = LIG001212
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.837   0.171  -0.026  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1       -1.767   0.956   0.313  0.00  0.00    +0.255 C 
ATOM      3  O   LIG    1       -1.759   2.102   0.720  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -0.569   0.147   0.104  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -0.976  -1.078  -0.391  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1       -0.075  -2.075  -0.706  0.00  0.00    +0.015 A 
ATOM      7  C   LIG    1        1.282  -1.798  -0.498  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1        1.698  -0.546   0.009  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1        0.763   0.449   0.316  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1       -2.433  -1.048  -0.500  0.00  0.00    +0.254 C 
ATOM     11  O   LIG    1       -3.102  -1.956  -0.954  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -8.094   0.880  -1.444  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -6.941   0.805  -1.029  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -5.878   1.151  -1.826  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -6.104   1.405  -2.778  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -4.535   1.049  -1.535  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -3.691   1.300  -2.393  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -4.197   0.682  -0.086  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1       -5.251  -0.270   0.474  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -6.618   0.393   0.389  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   8  21
ATOM     21  C   LIG    1        3.091  -0.294   0.208  0.00  0.00    -0.061 C 
ATOM     22  C   LIG    1        4.262  -0.082   0.375  0.00  0.00    -0.061 C 
BRANCH  22  23
ATOM     23  C   LIG    1        5.656   0.171   0.571  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1        6.286  -0.255   1.743  0.00  0.00    +0.017 A 
ATOM     25  C   LIG    1        7.647  -0.007   1.933  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        8.378   0.665   0.954  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        7.750   1.092  -0.216  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        6.389   0.845  -0.408  0.00  0.00    +0.017 A 
ENDBRANCH  22  23
ENDBRANCH   8  21
TORSDOF 3