REMARK  Name = LIG001811
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.359   0.192   0.241  0.00  0.00    +0.120 A 
ATOM      2  C   LIG    1        1.699  -1.034   0.171  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1        0.296  -1.099   0.143  0.00  0.00    -0.022 A 
ATOM      4  C   LIG    1       -0.381  -2.442   0.133  0.00  0.00    +0.038 C 
ATOM      5  C   LIG    1       -1.638  -2.335   0.975  0.00  0.00    +0.024 C 
ATOM      6  C   LIG    1       -2.547  -1.263   0.396  0.00  0.00    +0.114 C 
ATOM      7  N   LIG    1       -1.894  -0.002   0.029  0.00  0.00    -0.270 N 
ATOM      8  C   LIG    1       -2.754   0.940  -0.549  0.00  0.00    +0.234 C 
ATOM      9  O   LIG    1       -3.974   0.901  -0.328  0.00  0.00    -0.274 OA
ATOM     10  C   LIG    1       -0.470   0.080   0.119  0.00  0.00    +0.040 A 
ATOM     11  C   LIG    1        0.203   1.297   0.262  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        1.604   1.357   0.310  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        4.440   1.338   0.263  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1        3.722   0.110   0.269  0.00  0.00    -0.495 OA
ENDBRANCH   1  14
BRANCH   8  15
ATOM     15  C   LIG    1       -2.240   1.977  -1.534  0.00  0.00    +0.204 C 
ATOM     16 CL   LIG    1       -1.472   1.194  -2.930  0.00  0.00    -0.116 Cl
ENDBRANCH   8  15
TORSDOF 2