REMARK  Name = LIG000412
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.123   1.323  -0.388  0.00  0.00    -0.317 N 
ATOM      2  H   LIG    1        0.511   1.833  -1.181  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.969   0.251  -0.082  0.00  0.00    +0.137 A 
ATOM      4  C   LIG    1        2.333   0.267  -0.407  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        3.131  -0.825  -0.074  0.00  0.00    +0.084 A 
ATOM      6  C   LIG    1        4.488  -0.649  -0.476  0.00  0.00    +0.051 A 
ATOM      7  C   LIG    1        4.673   0.558  -1.095  0.00  0.00    +0.058 A 
ATOM      8 BR   LIG    1        6.361   1.146  -1.771  0.00  0.00    -0.042 Br
ATOM      9  N   LIG    1        2.646  -1.918   0.561  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        1.340  -1.850   0.831  0.00  0.00    +0.224 A 
ATOM     11  S   LIG    1        3.261   1.483  -1.205  0.00  0.00    -0.076 S 
ATOM     12  N   LIG    1        0.495  -0.846   0.548  0.00  0.00    -0.220 NA
ENDBRANCH   1   3
BRANCH   1  19
ATOM     13  O   LIG    1       -4.687  -1.323  -0.188  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -3.669  -0.639  -0.245  0.00  0.00    +0.219 C 
ATOM     15  N   LIG    1       -2.683  -0.916  -1.156  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -2.867  -1.689  -1.781  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -1.609  -0.124  -1.484  0.00  0.00    +0.240 C 
ATOM     18  O   LIG    1       -0.982  -0.322  -2.526  0.00  0.00    -0.273 OA
ATOM     19  C   LIG    1       -1.315   1.054  -0.541  0.00  0.00    +0.159 C 
ATOM     20  C   LIG    1       -2.015   0.913   0.810  0.00  0.00    +0.041 C 
ATOM     21  C   LIG    1       -3.486   0.602   0.596  0.00  0.00    +0.098 C 
ENDBRANCH   1  19
TORSDOF 2