REMARK  Name = LIG000623
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.644  -0.283  -0.796  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.709   0.266   0.090  0.00  0.00    +0.037 A 
ATOM      3  C   LIG    1       -0.632   0.103  -0.209  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -1.825   0.543   0.513  0.00  0.00    +0.255 C 
ATOM      5  N   LIG    1       -2.905   0.150  -0.233  0.00  0.00    -0.222 N 
ATOM      6  C   LIG    1       -2.519  -0.562  -1.335  0.00  0.00    +0.254 C 
ATOM      7  O   LIG    1       -3.204  -1.116  -2.173  0.00  0.00    -0.270 OA
ATOM      8  O   LIG    1       -1.813   1.144   1.569  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -1.058  -0.572  -1.336  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1       -0.169  -1.131  -2.228  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        1.194  -0.980  -1.948  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1       -4.275   0.288   0.235  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1       -4.744  -1.045   0.830  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1       -3.983  -1.921   1.237  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -6.108  -1.197   0.946  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -6.420  -2.072   1.345  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -7.091  -0.393   0.424  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -8.276  -0.700   0.518  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -6.640   0.902  -0.212  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1       -5.258   0.761  -0.832  0.00  0.00    +0.041 C 
ENDBRANCH   5  12
BRANCH   1  22
ATOM     21  C   LIG    1        3.729   0.455   0.393  0.00  0.00    +0.223 C 
ATOM     22  N   LIG    1        3.042  -0.197  -0.621  0.00  0.00    -0.285 N 
ATOM     23  H   LIG    1        3.601  -0.659  -1.325  0.00  0.00    +0.155 HD
ATOM     24  O   LIG    1        3.201   1.089   1.301  0.00  0.00    -0.275 OA
BRANCH  21  26
ATOM     25  C   LIG    1        5.923   1.075   1.466  0.00  0.00    +0.020 C 
ATOM     26  C   LIG    1        5.268   0.328   0.290  0.00  0.00    +0.039 C 
ATOM     27  C   LIG    1        5.683  -1.150   0.361  0.00  0.00    +0.020 C 
ATOM     28  C   LIG    1        5.763   0.955  -1.022  0.00  0.00    +0.020 C 
ENDBRANCH  21  26
ENDBRANCH   1  22
TORSDOF 3