REMARK  Name = LIG000117
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.586  -0.629   0.835  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1        1.341  -0.466   0.295  0.00  0.00    +0.256 C 
ATOM      3  O   LIG    1        0.993   0.189  -0.671  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1        0.411  -1.233   1.122  0.00  0.00    +0.071 A 
ATOM      5  C   LIG    1        1.146  -1.794   2.151  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        0.563  -2.581   3.121  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1       -0.814  -2.794   3.019  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -1.565  -2.219   1.967  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1       -0.957  -1.418   0.994  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        2.536  -1.381   1.978  0.00  0.00    +0.255 C 
ATOM     11  O   LIG    1        3.442  -1.679   2.732  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1        5.909   3.086  -1.458  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        5.290   2.180  -0.910  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1        4.545   2.413   0.219  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        4.491   3.378   0.517  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        3.694   1.540   0.860  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1        2.958   1.935   1.763  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1        3.784   0.078   0.410  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1        4.055   0.009  -1.090  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1        5.347   0.751  -1.399  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   9  21
ATOM     21  N   LIG    1       -1.630  -0.796  -0.077  0.00  0.00    -0.285 N 
ATOM     22  H   LIG    1       -1.045  -0.224  -0.688  0.00  0.00    +0.155 HD
ATOM     23  C   LIG    1       -2.976  -0.872  -0.389  0.00  0.00    +0.220 C 
ATOM     24  O   LIG    1       -3.811  -1.542   0.209  0.00  0.00    -0.275 OA
BRANCH  23  25
ATOM     25  C   LIG    1       -3.333  -0.020  -1.612  0.00  0.00    +0.075 C 
ATOM     26  C   LIG    1       -3.199   1.475  -1.331  0.00  0.00    +0.013 C 
ATOM     27  C   LIG    1       -4.510   1.844  -0.646  0.00  0.00    +0.001 C 
ATOM     28  C   LIG    1       -5.556   0.882  -1.203  0.00  0.00    +0.001 C 
ATOM     29  C   LIG    1       -4.796  -0.152  -2.031  0.00  0.00    +0.013 C 
ENDBRANCH  23  25
ENDBRANCH   9  21
TORSDOF 3