REMARK  Name = LIG000513
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.116  -0.012  -0.835  0.00  0.00    +0.030 A 
ATOM      2  C   LIG    1       -1.932   0.101  -0.122  0.00  0.00    +0.005 A 
ATOM      3  C   LIG    1       -0.520   0.083  -0.608  0.00  0.00    +0.146 C 
ATOM      4  N   LIG    1        0.247   0.291   0.612  0.00  0.00    -0.281 N 
ATOM      5  C   LIG    1       -0.561   0.313   1.740  0.00  0.00    +0.251 C 
ATOM      6  O   LIG    1       -0.201   0.371   2.899  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -1.945   0.250   1.269  0.00  0.00    +0.078 A 
ATOM      8  C   LIG    1       -3.116   0.332   1.986  0.00  0.00    +0.136 A 
ATOM      9  F   LIG    1       -3.127   0.482   3.315  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1       -4.316   0.285   1.286  0.00  0.00    +0.041 A 
ATOM     11  C   LIG    1       -4.312   0.137  -0.114  0.00  0.00    +0.026 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1        1.690   0.101   0.698  0.00  0.00    +0.163 C 
ATOM     13  C   LIG    1        2.096  -1.371   0.511  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1        1.308  -2.313   0.483  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1        3.446  -1.589   0.348  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1        3.700  -2.558   0.205  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1        4.334  -0.689  -0.183  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1        5.389  -1.062  -0.686  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        3.948   0.770  -0.099  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1        2.453   0.955  -0.310  0.00  0.00    +0.041 C 
ENDBRANCH   4  12
BRANCH   1  21
ATOM     21  N   LIG    1       -3.139  -0.045  -2.229  0.00  0.00    -0.358 N 
ATOM     22  H   LIG    1       -2.340  -0.500  -2.659  0.00  0.00    +0.142 HD
ATOM     23  H   LIG    1       -4.013  -0.386  -2.621  0.00  0.00    +0.142 HD
ENDBRANCH   1  21
TORSDOF 2