REMARK  Name = LIG001145
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.269   0.866   0.001  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -0.604  -0.158   0.291  0.00  0.00    -0.300 N 
ATOM      3  H   LIG    1       -0.243  -1.039   0.655  0.00  0.00    +0.150 HD
ATOM      4  O   LIG    1       -0.122   1.994  -0.282  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.038   0.063   0.391  0.00  0.00    +0.160 C 
ATOM      6  C   LIG    1       -2.680  -1.112   1.137  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1       -2.036  -1.909   1.819  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1       -4.043  -1.227   1.016  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1       -4.455  -2.014   1.498  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1       -4.810  -0.705   0.005  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1       -5.950  -1.112  -0.197  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -4.190   0.407  -0.808  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1       -2.694   0.196  -0.980  0.00  0.00    +0.041 C 
ENDBRANCH   2   5
BRANCH   1  18
ATOM     14  C   LIG    1        4.515   0.102   0.057  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1        3.620  -0.922   0.364  0.00  0.00    +0.061 A 
ATOM     16  C   LIG    1        2.243  -0.693   0.337  0.00  0.00    +0.137 A 
ATOM     17  F   LIG    1        1.431  -1.726   0.615  0.00  0.00    -0.205 F 
ATOM     18  C   LIG    1        1.727   0.569   0.044  0.00  0.00    +0.072 A 
ATOM     19  C   LIG    1        2.627   1.613  -0.209  0.00  0.00    +0.018 A 
ATOM     20  C   LIG    1        4.007   1.382  -0.181  0.00  0.00    +0.023 A 
BRANCH  14  21
ATOM     21  N   LIG    1        5.891  -0.093   0.204  0.00  0.00    -0.358 N 
ATOM     22  H   LIG    1        6.466   0.569  -0.308  0.00  0.00    +0.142 HD
ATOM     23  H   LIG    1        6.198  -1.052   0.071  0.00  0.00    +0.142 HD
ENDBRANCH  14  21
ENDBRANCH   1  18
TORSDOF 3