REMARK  Name = LIG000044
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.594  -0.427   0.856  0.00  0.00    -0.180 N 
ATOM      2  C   LIG    1        0.445   0.527   0.718  0.00  0.00    +0.353 A 
ATOM      3  O   LIG    1        0.366   1.566   0.062  0.00  0.00    -0.244 OA
ATOM      4  N   LIG    1        1.625   0.242   1.409  0.00  0.00    -0.253 N 
ATOM      5  C   LIG    1        1.782  -0.848   2.236  0.00  0.00    +0.293 A 
ATOM      6  O   LIG    1        2.765  -1.107   2.916  0.00  0.00    -0.264 OA
ATOM      7  C   LIG    1        0.618  -1.764   2.290  0.00  0.00    +0.225 A 
ATOM      8  N   LIG    1       -0.481  -1.558   1.646  0.00  0.00    -0.146 NA
ENDROOT
BRANCH   1  14
ATOM      9  C   LIG    1       -5.805  -0.205  -1.707  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1       -4.447  -0.231  -1.064  0.00  0.00    -0.047 A 
ATOM     11  C   LIG    1       -3.471   0.736  -1.359  0.00  0.00    -0.046 A 
ATOM     12  C   LIG    1       -3.744   1.844  -2.342  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1       -2.208   0.669  -0.730  0.00  0.00    +0.031 A 
ATOM     14  C   LIG    1       -1.881  -0.334   0.195  0.00  0.00    +0.071 A 
ATOM     15  C   LIG    1       -2.879  -1.288   0.465  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1       -4.136  -1.239  -0.149  0.00  0.00    +0.006 A 
ENDBRANCH   1  14
BRANCH   7  17
ATOM     17  C   LIG    1        0.594  -2.975   3.069  0.00  0.00    +0.127 C 
ATOM     18  N   LIG    1        0.563  -3.954   3.696  0.00  0.00    -0.189 NA
ENDBRANCH   7  17
BRANCH   4  19
ATOM     19  C   LIG    1        2.752   1.155   1.273  0.00  0.00    +0.165 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.675   0.737   0.148  0.00  0.00    -0.025 A 
ATOM     21  C   LIG    1        4.761  -0.115   0.395  0.00  0.00    +0.043 A 
ATOM     22  C   LIG    1        5.588  -0.509  -0.653  0.00  0.00    +0.124 A 
ATOM     23  F   LIG    1        6.623  -1.322  -0.404  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1        5.355  -0.077  -1.953  0.00  0.00    +0.038 A 
ATOM     25  C   LIG    1        4.275   0.765  -2.212  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1        3.439   1.168  -1.167  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4