REMARK  Name = LIG001323
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.628   2.648  -0.077  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1        1.841   1.453   0.006  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1        2.306   0.122  -0.027  0.00  0.00    +0.084 A 
ATOM      4  C   LIG    1        1.171  -0.707   0.019  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1        1.260  -2.087  -0.016  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1        2.533  -2.652  -0.092  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1        3.677  -1.837  -0.132  0.00  0.00    +0.017 A 
ATOM      8  N   LIG    1        0.029   0.108   0.096  0.00  0.00    -0.280 N 
ATOM      9  C   LIG    1        3.573  -0.437  -0.101  0.00  0.00    +0.043 A 
ATOM     10 BR   LIG    1        5.186   0.546  -0.160  0.00  0.00    -0.048 Br
ATOM     11  C   LIG    1        0.433   1.456   0.050  0.00  0.00    +0.331 A 
ATOM     12  O   LIG    1       -0.302   2.431   0.046  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -1.349  -0.338   0.077  0.00  0.00    +0.179 C 
ATOM     14  C   LIG    1       -1.972  -0.075  -1.302  0.00  0.00    +0.242 C 
ATOM     15  O   LIG    1       -1.342  -0.121  -2.357  0.00  0.00    -0.273 OA
ATOM     16  N   LIG    1       -3.337   0.102  -1.322  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1       -3.748   0.242  -2.235  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1       -4.218   0.006  -0.274  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1       -5.431   0.051  -0.459  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1       -3.621  -0.248   1.091  0.00  0.00    +0.099 C 
ATOM     21  C   LIG    1       -2.202   0.289   1.181  0.00  0.00    +0.044 C 
ENDBRANCH   8  13
TORSDOF 1