REMARK  Name = LIG001754
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.886   0.069  -0.240  0.00  0.00    +0.133 A 
ATOM      2  C   LIG    1       -1.571  -0.360  -0.126  0.00  0.00    +0.083 A 
ATOM      3  C   LIG    1       -0.314   0.308  -0.516  0.00  0.00    +0.251 C 
ATOM      4  N   LIG    1        0.717  -0.591  -0.268  0.00  0.00    -0.281 N 
ATOM      5  C   LIG    1        0.251  -1.768   0.444  0.00  0.00    +0.144 C 
ATOM      6  O   LIG    1       -0.203   1.439  -0.950  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -1.229  -1.594   0.437  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1       -2.205  -2.450   0.911  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -3.537  -2.045   0.805  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -3.875  -0.801   0.235  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        2.134  -0.243  -0.309  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1        2.534   0.610   0.905  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        2.017   0.493   2.016  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        3.612   1.446   0.726  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        3.895   1.978   1.537  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        4.439   1.530  -0.366  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        5.473   2.191  -0.327  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        4.064   0.694  -1.567  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1        2.567   0.431  -1.611  0.00  0.00    +0.041 C 
ENDBRANCH   4  11
BRANCH   1  21
ATOM     20  C   LIG    1       -4.448   1.756  -0.855  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -3.109   1.285  -0.811  0.00  0.00    -0.494 OA
ENDBRANCH   1  21
TORSDOF 2