REMARK  Name = LIG001940
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.296  -0.769   0.436  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1        0.127  -0.128   0.124  0.00  0.00    +0.255 C 
ATOM      3  O   LIG    1       -0.029   1.055  -0.106  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1       -0.930  -1.150   0.088  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1       -0.308  -2.368   0.330  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1       -0.991  -3.568   0.347  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1       -2.362  -3.520   0.110  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -3.003  -2.289  -0.138  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1       -2.298  -1.065  -0.156  0.00  0.00    -0.004 A 
ATOM     10  C   LIG    1        1.116  -2.120   0.529  0.00  0.00    +0.255 C 
ATOM     11  O   LIG    1        1.942  -2.988   0.741  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1        5.441   2.694  -0.561  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        4.588   1.865  -0.255  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1        4.035   1.037  -1.200  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        4.328   1.197  -2.154  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        3.041   0.100  -1.025  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1        2.592  -0.520  -1.988  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1        2.615  -0.153   0.425  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1        2.716   1.135   1.238  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1        4.144   1.655   1.174  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   9  21
ATOM     21  C   LIG    1       -3.008   0.189  -0.420  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -3.689   0.405  -1.621  0.00  0.00    +0.119 A 
ATOM     23  N   LIG    1       -4.395   1.521  -1.923  0.00  0.00    -0.263 NA
ATOM     24  C   LIG    1       -4.416   2.492  -0.986  0.00  0.00    +0.111 A 
ATOM     25  C   LIG    1       -3.777   2.390   0.238  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -3.071   1.222   0.522  0.00  0.00    +0.011 A 
ENDBRANCH   9  21
TORSDOF 2