REMARK  Name = LIG000846
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.596   0.188   0.339  0.00  0.00    -0.299 N 
ATOM      2  H   LIG    1       -0.080   0.728   1.029  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1        0.037  -0.817  -0.354  0.00  0.00    +0.247 C 
ATOM      4  O   LIG    1       -0.533  -1.652  -1.041  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.500  -0.849  -0.218  0.00  0.00    +0.073 A 
ATOM      6  C   LIG    1        2.096  -1.697   0.722  0.00  0.00    +0.056 A 
ATOM      7 CL   LIG    1        1.167  -2.678   1.798  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1        3.488  -1.751   0.829  0.00  0.00    +0.040 A 
ATOM      9  C   LIG    1        4.276  -0.961  -0.006  0.00  0.00    +0.044 A 
ATOM     10 CL   LIG    1        5.989  -1.027   0.128  0.00  0.00    -0.083 Cl
ATOM     11  C   LIG    1        3.690  -0.115  -0.945  0.00  0.00    +0.040 A 
ATOM     12  C   LIG    1        2.298  -0.059  -1.054  0.00  0.00    +0.056 A 
ATOM     13 CL   LIG    1        1.625   1.012  -2.231  0.00  0.00    -0.083 Cl
ENDBRANCH   3   5
BRANCH   1  20
ATOM     14  O   LIG    1       -4.683   1.899  -1.290  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1       -3.822   1.472  -0.538  0.00  0.00    +0.221 C 
ATOM     16  N   LIG    1       -3.641   1.884   0.741  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1       -4.136   2.675   1.124  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1       -2.505   1.382   1.282  0.00  0.00    +0.240 C 
ATOM     19  O   LIG    1       -1.938   1.802   2.279  0.00  0.00    -0.273 OA
ATOM     20  C   LIG    1       -2.044   0.223   0.420  0.00  0.00    +0.168 C 
ATOM     21  C   LIG    1       -2.758   0.477  -0.904  0.00  0.00    +0.128 C 
ENDBRANCH   1  20
TORSDOF 2