REMARK  Name = LIG000444
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.902  -0.105   0.366  0.00  0.00    -0.239 N 
ATOM      2  N   LIG    1       -0.731  -0.284  -0.954  0.00  0.00    -0.064 NA
ATOM      3  N   LIG    1        0.570  -0.217  -1.202  0.00  0.00    -0.129 NA
ATOM      4  C   LIG    1        1.217   0.006  -0.018  0.00  0.00    +0.114 A 
ATOM      5  C   LIG    1        0.291   0.102   0.996  0.00  0.00    +0.139 A 
ENDROOT
BRANCH   1  12
ATOM      6  O   LIG    1       -5.311  -1.024  -1.684  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -4.356  -0.740  -0.967  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1       -3.777  -1.684  -0.158  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1       -4.189  -2.607  -0.202  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1       -2.846  -1.492   0.834  0.00  0.00    +0.244 C 
ATOM     11  O   LIG    1       -2.546  -2.411   1.595  0.00  0.00    -0.273 OA
ATOM     12  C   LIG    1       -2.228  -0.116   0.953  0.00  0.00    +0.195 C 
ATOM     13  C   LIG    1       -3.164   0.974   0.427  0.00  0.00    +0.045 C 
ATOM     14  C   LIG    1       -3.749   0.640  -0.939  0.00  0.00    +0.099 C 
ENDBRANCH   1  12
BRANCH   4  15
ATOM     15  C   LIG    1        2.652   0.146   0.119  0.00  0.00    +0.022 A 
ATOM     16  C   LIG    1        3.554  -0.792  -0.410  0.00  0.00    +0.051 A 
ATOM     17 CL   LIG    1        3.039  -2.236  -1.214  0.00  0.00    -0.083 Cl
ATOM     18  C   LIG    1        4.935  -0.607  -0.268  0.00  0.00    +0.036 A 
ATOM     19  C   LIG    1        5.419   0.514   0.402  0.00  0.00    +0.019 A 
ATOM     20 BR   LIG    1        7.283   0.762   0.593  0.00  0.00    -0.050 Br
ATOM     21  C   LIG    1        4.540   1.453   0.935  0.00  0.00    +0.016 A 
ATOM     22  C   LIG    1        3.162   1.269   0.794  0.00  0.00    +0.012 A 
ENDBRANCH   4  15
TORSDOF 2