REMARK  Name = LIG001254
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.562   0.844   0.320  0.00  0.00    +0.143 A 
ATOM      2  C   LIG    1       -0.425   2.266  -0.124  0.00  0.00    +0.265 A 
ATOM      3  O   LIG    1        0.665   2.753  -0.419  0.00  0.00    -0.267 OA
ATOM      4  N   LIG    1       -1.563   3.028  -0.194  0.00  0.00    -0.318 N 
ATOM      5  H   LIG    1       -1.430   3.991  -0.492  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -2.829   2.581   0.135  0.00  0.00    +0.126 A 
ATOM      7  C   LIG    1       -2.962   1.306   0.532  0.00  0.00    +0.077 A 
ATOM      8  C   LIG    1       -1.814   0.415   0.598  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   1  11
ATOM      9  N   LIG    1        1.847   0.525   0.209  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1        1.827   1.515  -0.044  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1        0.624  -0.079   0.437  0.00  0.00    +0.257 C 
ATOM     12  O   LIG    1        0.479  -1.268   0.704  0.00  0.00    -0.270 OA
BRANCH   9  15
ATOM     13  C   LIG    1        5.522   0.267  -0.018  0.00  0.00    +0.061 A 
ATOM     14  C   LIG    1        4.216   0.771  -0.043  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1        3.130  -0.058   0.265  0.00  0.00    +0.034 A 
ATOM     16  C   LIG    1        3.376  -1.389   0.611  0.00  0.00    +0.023 A 
ATOM     17  C   LIG    1        4.684  -1.887   0.658  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1        5.761  -1.060   0.348  0.00  0.00    +0.015 A 
BRANCH  13  20
ATOM     19  O   LIG    1        6.674   2.345   0.006  0.00  0.00    -0.245 OA
ATOM     20  C   LIG    1        6.635   1.182  -0.355  0.00  0.00    +0.337 C 
BRANCH  20  21
ATOM     21  O   LIG    1        7.570   0.607  -1.140  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1        7.323  -0.270  -1.488  0.00  0.00    +0.295 HD
ENDBRANCH  20  21
ENDBRANCH  13  20
ENDBRANCH   9  15
ENDBRANCH   1  11
BRANCH   6  23
ATOM     23  C   LIG    1       -3.985   3.553   0.039  0.00  0.00    +0.432 C 
ATOM     24  F   LIG    1       -3.779   4.638   0.827  0.00  0.00    -0.164 F 
ATOM     25  F   LIG    1       -5.170   3.008   0.409  0.00  0.00    -0.164 F 
ATOM     26  F   LIG    1       -4.133   4.013  -1.229  0.00  0.00    -0.164 F 
ENDBRANCH   6  23
BRANCH   8  27
ATOM     27  O   LIG    1       -2.092  -0.861   1.068  0.00  0.00    -0.455 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -2.960  -1.651   0.347  0.00  0.00    +0.128 A 
ATOM     29  C   LIG    1       -2.942  -1.728  -1.048  0.00  0.00    +0.046 A 
ATOM     30  C   LIG    1       -3.846  -2.564  -1.707  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -4.754  -3.329  -0.973  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -4.753  -3.268   0.421  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1       -3.851  -2.435   1.081  0.00  0.00    +0.046 A 
ENDBRANCH  27  28
ENDBRANCH   8  27
TORSDOF 7