REMARK  Name = LIG000629
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.002   0.397  -0.119  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        0.888   0.854  -1.085  0.00  0.00    +0.249 C 
ATOM      3  O   LIG    1        0.603   1.454  -2.103  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.238   0.473  -0.641  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1        2.097  -0.269   0.537  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        3.206  -0.776   1.194  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        4.468  -0.524   0.650  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        4.603   0.223  -0.534  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1        3.478   0.731  -1.194  0.00  0.00    +0.053 A 
ATOM     10 CL   LIG    1        3.700   1.641  -2.633  0.00  0.00    -0.083 Cl
ATOM     11  C   LIG    1        0.656  -0.408   0.896  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -5.284  -1.018   0.145  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -4.177  -0.535  -0.071  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -3.290  -1.149  -0.918  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -3.596  -2.050  -1.261  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -1.925  -0.979  -0.899  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -1.181  -1.879  -1.283  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -1.442   0.376  -0.352  0.00  0.00    +0.163 C 
ATOM     19  C   LIG    1       -2.242   0.715   0.902  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -3.723   0.762   0.558  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
TORSDOF 1