REMARK  Name = LIG000196
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.196  -0.214   0.026  0.00  0.00    -0.281 N 
ATOM      2  C   LIG    1       -3.925  -1.532   0.369  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -4.711  -2.452   0.484  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -2.476  -1.628   0.575  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -1.719  -2.717   0.991  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1       -0.337  -2.543   1.118  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1        0.224  -1.299   0.807  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1        1.653  -0.842   0.908  0.00  0.00    +0.098 C 
ATOM      9  C   LIG    1        2.056  -0.579   2.367  0.00  0.00    +0.274 C 
ATOM     10  F   LIG    1        1.270   0.367   2.942  0.00  0.00    -0.203 F 
ATOM     11  F   LIG    1        1.883  -1.714   3.106  0.00  0.00    -0.203 F 
ATOM     12  C   LIG    1        3.530  -0.148   2.478  0.00  0.00    +0.161 C 
ATOM     13  N   LIG    1        4.478  -0.988   1.742  0.00  0.00    -0.293 NA
ATOM     14  C   LIG    1        3.900  -2.120   1.039  0.00  0.00    +0.086 C 
ATOM     15  C   LIG    1        2.654  -1.792   0.206  0.00  0.00    +0.036 C 
ATOM     16  C   LIG    1        1.502   0.489   0.124  0.00  0.00    +0.246 C 
ATOM     17  O   LIG    1        0.117   0.917   0.149  0.00  0.00    -0.490 OA
ATOM     18  C   LIG    1       -0.569  -0.236   0.390  0.00  0.00    +0.130 A 
ATOM     19  C   LIG    1       -1.923  -0.385   0.277  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -2.977   0.572  -0.143  0.00  0.00    +0.148 C 
ENDROOT
BRANCH   1  27
ATOM     21  O   LIG    1       -8.084   2.545  -2.678  0.00  0.00    -0.275 OA
ATOM     22  C   LIG    1       -7.379   1.801  -2.004  0.00  0.00    +0.219 C 
ATOM     23  N   LIG    1       -6.628   0.814  -2.590  0.00  0.00    -0.255 N 
ATOM     24  H   LIG    1       -6.641   0.817  -3.601  0.00  0.00    +0.158 HD
ATOM     25  C   LIG    1       -5.538   0.187  -2.029  0.00  0.00    +0.240 C 
ATOM     26  O   LIG    1       -4.684  -0.327  -2.747  0.00  0.00    -0.273 OA
ATOM     27  C   LIG    1       -5.495   0.198  -0.491  0.00  0.00    +0.163 C 
ATOM     28  C   LIG    1       -5.909   1.579   0.008  0.00  0.00    +0.041 C 
ATOM     29  C   LIG    1       -7.308   1.900  -0.498  0.00  0.00    +0.098 C 
ENDBRANCH   1  27
BRANCH  13  30
ATOM     30  C   LIG    1        5.621  -0.314   1.134  0.00  0.00    +0.119 C 
BRANCH  30  31
ATOM     31  C   LIG    1        5.329   0.482  -0.118  0.00  0.00    -0.033 A 
ATOM     32  C   LIG    1        5.019   1.849  -0.046  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1        4.738   2.578  -1.202  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        4.773   1.954  -2.447  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1        5.098   0.602  -2.537  0.00  0.00    +0.000 A 
ATOM     36  C   LIG    1        5.379  -0.128  -1.380  0.00  0.00    +0.005 A 
ENDBRANCH  30  31
ENDBRANCH  13  30
TORSDOF 3