REMARK  Name = LIG000817
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.313   0.936  -1.243  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.886   0.325  -0.344  0.00  0.00    +0.253 C 
ATOM      3  N   LIG    1       -0.270  -0.401   0.653  0.00  0.00    -0.281 N 
ATOM      4  H   LIG    1       -0.882  -0.829   1.350  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.384   0.339  -0.269  0.00  0.00    +0.101 A 
ATOM      6  C   LIG    1       -3.172  -0.345   0.799  0.00  0.00    +0.261 A 
ATOM      7  O   LIG    1       -2.630  -0.974   1.704  0.00  0.00    -0.267 OA
ATOM      8  N   LIG    1       -4.540  -0.239   0.726  0.00  0.00    -0.318 N 
ATOM      9  H   LIG    1       -5.059  -0.711   1.462  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1       -5.227   0.454  -0.261  0.00  0.00    +0.123 A 
ATOM     11  C   LIG    1       -4.513   1.069  -1.220  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1       -3.069   1.007  -1.218  0.00  0.00    +0.020 A 
BRANCH  10  13
ATOM     13  C   LIG    1       -6.739   0.477  -0.200  0.00  0.00    +0.432 C 
ATOM     14  F   LIG    1       -7.253  -0.778  -0.254  0.00  0.00    -0.164 F 
ATOM     15  F   LIG    1       -7.301   1.183  -1.213  0.00  0.00    -0.164 F 
ATOM     16  F   LIG    1       -7.176   1.028   0.961  0.00  0.00    -0.164 F 
ENDBRANCH  10  13
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  C   LIG    1        1.111  -0.613   0.849  0.00  0.00    +0.034 A 
ATOM     18  C   LIG    1        2.107  -0.146  -0.016  0.00  0.00    +0.033 A 
ATOM     19  C   LIG    1        3.468  -0.383   0.242  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        3.815  -1.114   1.385  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1        2.831  -1.592   2.251  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        1.486  -1.342   1.982  0.00  0.00    +0.023 A 
BRANCH  19  23
ATOM     23  C   LIG    1        4.511   0.115  -0.660  0.00  0.00    +0.066 A 
ATOM     24  N   LIG    1        4.348   1.186  -1.507  0.00  0.00    -0.277 N 
ATOM     25  H   LIG    1        3.522   1.763  -1.625  0.00  0.00    +0.189 HD
ATOM     26  N   LIG    1        5.436   1.483  -2.239  0.00  0.00    -0.182 NA
ATOM     27  C   LIG    1        6.330   0.574  -1.851  0.00  0.00    +0.135 A 
ATOM     28  C   LIG    1        5.815  -0.295  -0.873  0.00  0.00    +0.049 A 
ENDBRANCH  19  23
ENDBRANCH   3  17
TORSDOF 4