REMARK  Name = LIG000975
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.013   0.377  -0.093  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1        0.688  -0.641   0.523  0.00  0.00    +0.255 C 
ATOM      3  O   LIG    1        0.254  -1.557   1.194  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.103  -0.459   0.208  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        2.205   0.640  -0.625  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1        3.420   1.075  -1.118  0.00  0.00    +0.015 A 
ATOM      7  C   LIG    1        4.558   0.355  -0.736  0.00  0.00    +0.016 A 
ATOM      8  C   LIG    1        4.446  -0.766   0.114  0.00  0.00    +0.019 A 
ATOM      9 BR   LIG    1        6.008  -1.714   0.604  0.00  0.00    -0.050 Br
ATOM     10  C   LIG    1        3.207  -1.191   0.599  0.00  0.00    +0.029 A 
ATOM     11  C   LIG    1        0.856   1.159  -0.836  0.00  0.00    +0.254 C 
ATOM     12  O   LIG    1        0.590   2.111  -1.544  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  19
ATOM     13  O   LIG    1       -5.340  -0.845   0.002  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -4.179  -0.448  -0.027  0.00  0.00    +0.219 C 
ATOM     15  N   LIG    1       -3.317  -0.852  -1.016  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -3.681  -1.536  -1.666  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -1.977  -0.558  -1.141  0.00  0.00    +0.240 C 
ATOM     18  O   LIG    1       -1.304  -1.081  -2.027  0.00  0.00    -0.273 OA
ATOM     19  C   LIG    1       -1.436   0.493  -0.167  0.00  0.00    +0.171 C 
ATOM     20  C   LIG    1       -2.145   0.376   1.179  0.00  0.00    +0.041 C 
ATOM     21  C   LIG    1       -3.643   0.551   0.972  0.00  0.00    +0.098 C 
ENDBRANCH   1  19
TORSDOF 1