REMARK  Name = LIG000486
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  CA  LIG    1        0.550  -1.810  -1.516  0.00  0.00    +0.173 C 
ATOM      2  C   LIG    1        1.108  -0.590  -0.792  0.00  0.00    +0.071 C 
ATOM      3  C   LIG    1       -0.139  -0.083   0.002  0.00  0.00    +0.101 C 
ATOM      4  C   LIG    1       -0.036   1.411   0.287  0.00  0.00    -0.009 A 
ATOM      5  C   LIG    1       -0.071   1.629   1.666  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1        0.014   2.881   2.237  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1        0.159   3.963   1.372  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1        0.229   3.775  -0.017  0.00  0.00    +0.020 A 
ATOM      9 CL   LIG    1        0.272   5.555   2.017  0.00  0.00    -0.083 Cl
ATOM     10  N   LIG    1       -0.156   0.424   2.335  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -0.134   0.304   3.338  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1        0.141   2.490  -0.568  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -0.141  -0.648   1.458  0.00  0.00    +0.230 C 
ATOM     14  O   LIG    1       -0.117  -1.818   1.806  0.00  0.00    -0.274 OA
ATOM     15  C   LIG    1       -1.393  -0.600  -0.846  0.00  0.00    +0.039 C 
ATOM     16  C   LIG    1       -2.327  -1.649  -0.175  0.00  0.00    +0.023 C 
ATOM     17  C   LIG    1       -3.289  -1.054   0.855  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1       -4.141   0.055   0.249  0.00  0.00    +0.000 C 
ATOM     19  C   LIG    1       -3.283   1.115  -0.430  0.00  0.00    +0.002 C 
ATOM     20  C   LIG    1       -2.324   0.492  -1.445  0.00  0.00    +0.023 C 
ATOM     21  N   LIG    1       -0.775  -1.314  -2.019  0.00  0.00    -0.297 NA
ATOM     22  H   LIG    1       -0.582  -0.601  -2.735  0.00  0.00    +0.123 HD
ENDROOT
BRANCH   2  23
ATOM     23  C   LIG    1        2.399  -0.774  -0.010  0.00  0.00    -0.004 A 
ATOM     24  C   LIG    1        3.312   0.291   0.068  0.00  0.00    +0.145 A 
ATOM     25  F   LIG    1        3.026   1.442  -0.563  0.00  0.00    -0.204 F 
ATOM     26  C   LIG    1        4.508   0.178   0.779  0.00  0.00    +0.076 A 
ATOM     27 CL   LIG    1        5.603   1.504   0.870  0.00  0.00    -0.081 Cl
ATOM     28  C   LIG    1        4.821  -1.013   1.427  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1        3.933  -2.085   1.359  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        2.734  -1.968   0.647  0.00  0.00    +0.007 A 
ENDBRANCH   2  23
BRANCH   1  32
ATOM     31  O   LIG    1        2.591  -2.294  -2.795  0.00  0.00    -0.249 OA
ATOM     32  C   LIG    1        1.375  -2.276  -2.722  0.00  0.00    +0.323 C 
BRANCH  32  33
ATOM     33  OXT LIG    1        0.566  -2.704  -3.729  0.00  0.00    -0.480 OA
ATOM     34  HXT LIG    1       -0.369  -2.597  -3.432  0.00  0.00    +0.295 HD
ENDBRANCH  32  33
ENDBRANCH   1  32
TORSDOF 3