REMARK  Name = LIG000120
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.001   1.526   1.295  0.00  0.00    +0.115 A 
ATOM      2  C   LIG    1       -0.548   2.779   0.702  0.00  0.00    +0.262 A 
ATOM      3  O   LIG    1       -1.729   3.097   0.791  0.00  0.00    -0.267 OA
ATOM      4  N   LIG    1        0.334   3.575   0.018  0.00  0.00    -0.318 N 
ATOM      5  H   LIG    1       -0.061   4.427  -0.373  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1        1.685   3.318  -0.113  0.00  0.00    +0.124 A 
ATOM      7  C   LIG    1        2.173   2.193   0.437  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1        1.315   1.248   1.144  0.00  0.00    +0.032 A 
ENDROOT
BRANCH   1  14
ATOM      9  C   LIG    1       -3.667  -1.598  -1.430  0.00  0.00    +0.057 A 
ATOM     10  C   LIG    1       -3.113  -1.130  -0.247  0.00  0.00    -0.008 A 
ATOM     11  C   LIG    1       -2.191   0.029  -0.030  0.00  0.00    +0.145 C 
ATOM     12  N   LIG    1       -1.843  -0.079   1.388  0.00  0.00    -0.289 N 
ATOM     13  C   LIG    1       -2.676  -1.050   2.089  0.00  0.00    +0.144 C 
ATOM     14  C   LIG    1       -0.904   0.645   2.081  0.00  0.00    +0.254 C 
ATOM     15  O   LIG    1       -0.768   0.557   3.300  0.00  0.00    -0.270 OA
ATOM     16  C   LIG    1       -3.406  -1.741   0.980  0.00  0.00    -0.024 A 
ATOM     17  C   LIG    1       -4.262  -2.826   1.053  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1       -4.827  -3.305  -0.131  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -4.531  -2.698  -1.364  0.00  0.00    +0.019 A 
BRANCH   9  21
ATOM     20  N   LIG    1       -3.092  -0.473  -3.694  0.00  0.00    -0.191 NA
ATOM     21  C   LIG    1       -3.360  -0.982  -2.686  0.00  0.00    +0.099 C 
ENDBRANCH   9  21
ENDBRANCH   1  14
BRANCH   6  22
ATOM     22  C   LIG    1        2.539   4.324  -0.853  0.00  0.00    +0.432 C 
ATOM     23  F   LIG    1        3.844   3.960  -0.924  0.00  0.00    -0.164 F 
ATOM     24  F   LIG    1        2.104   4.492  -2.127  0.00  0.00    -0.164 F 
ATOM     25  F   LIG    1        2.494   5.543  -0.259  0.00  0.00    -0.164 F 
ENDBRANCH   6  22
BRANCH   8  26
ATOM     26  S   LIG    1        2.066  -0.166   1.864  0.00  0.00    -0.086 S 
BRANCH  26  27
ATOM     27  C   LIG    1        3.054  -0.819   0.508  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1        2.480  -1.588  -0.523  0.00  0.00    +0.056 A 
ATOM     29 CL   LIG    1        0.798  -1.991  -0.569  0.00  0.00    -0.082 Cl
ATOM     30  C   LIG    1        3.265  -2.096  -1.568  0.00  0.00    +0.021 A 
ATOM     31  C   LIG    1        4.636  -1.867  -1.596  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1        5.230  -1.140  -0.570  0.00  0.00    +0.021 A 
ATOM     33  C   LIG    1        4.453  -0.628   0.477  0.00  0.00    +0.056 A 
ATOM     34 CL   LIG    1        5.308   0.246   1.708  0.00  0.00    -0.082 Cl
ENDBRANCH  26  27
ENDBRANCH   8  26
TORSDOF 5