REMARK  Name = LIG001046
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.021  -0.287  -0.578  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1        1.130  -0.914  -1.088  0.00  0.00    +0.256 C 
ATOM      3  O   LIG    1        1.171  -1.716  -2.001  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1        2.287  -0.418  -0.335  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1        1.798   0.470   0.609  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1        2.613   1.133   1.508  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        3.982   0.878   1.436  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        4.493  -0.021   0.479  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1        3.641  -0.680  -0.419  0.00  0.00    +0.031 A 
ATOM     10 BR   LIG    1        4.389  -1.871  -1.676  0.00  0.00    -0.049 Br
ATOM     11  C   LIG    1        0.347   0.535   0.459  0.00  0.00    +0.255 C 
ATOM     12  O   LIG    1       -0.382   1.195   1.172  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  19
ATOM     13  O   LIG    1       -4.932   0.298   0.892  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -3.888   0.065   0.288  0.00  0.00    +0.219 C 
ATOM     15  N   LIG    1       -3.341  -1.190   0.299  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -3.781  -1.801   0.975  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -2.012  -1.442   0.083  0.00  0.00    +0.240 C 
ATOM     18  O   LIG    1       -1.427  -2.312   0.725  0.00  0.00    -0.273 OA
ATOM     19  C   LIG    1       -1.336  -0.602  -1.005  0.00  0.00    +0.171 C 
ATOM     20  C   LIG    1       -2.164   0.598  -1.466  0.00  0.00    +0.041 C 
ATOM     21  C   LIG    1       -3.102   1.149  -0.405  0.00  0.00    +0.098 C 
ENDBRANCH   1  19
TORSDOF 1