REMARK  Name = LIG000398
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.300   1.416  -2.097  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1       -2.613   1.070  -1.785  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1       -3.254   0.455  -0.604  0.00  0.00    +0.256 C 
ATOM      4  N   LIG    1       -4.602   0.403  -0.848  0.00  0.00    -0.222 N 
ATOM      5  C   LIG    1       -4.899   0.839  -2.103  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1       -5.977   0.873  -2.665  0.00  0.00    -0.270 OA
ATOM      7  O   LIG    1       -2.695   0.036   0.392  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1       -3.646   1.293  -2.694  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1       -3.462   1.861  -3.940  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -2.167   2.229  -4.276  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -1.112   2.014  -3.368  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1  17
ATOM     12  C   LIG    1        4.392   0.378   1.310  0.00  0.00    +0.403 C 
ATOM     13  N   LIG    1        3.102   0.366   0.869  0.00  0.00    -0.266 N 
ATOM     14  C   LIG    1        2.193   1.497   0.708  0.00  0.00    +0.122 C 
ATOM     15  C   LIG    1        1.481   0.638  -0.295  0.00  0.00    +0.034 C 
ATOM     16  C   LIG    1        0.016   0.383  -0.128  0.00  0.00    +0.116 C 
ATOM     17  N   LIG    1       -0.180   1.257  -1.258  0.00  0.00    -0.328 N 
ATOM     18  C   LIG    1        1.208   1.189  -1.657  0.00  0.00    +0.116 C 
ATOM     19  C   LIG    1        2.456  -0.483  -0.125  0.00  0.00    +0.122 C 
ATOM     20  O   LIG    1        4.899   1.325   1.896  0.00  0.00    -0.226 OA
BRANCH  12  21
ATOM     21  O   LIG    1        5.017  -0.789   1.010  0.00  0.00    -0.445 OA
BRANCH  21  23
ATOM     22  C   LIG    1        6.717  -2.427   0.880  0.00  0.00    +0.055 C 
ATOM     23  C   LIG    1        6.398  -1.013   1.391  0.00  0.00    +0.107 C 
ATOM     24  C   LIG    1        7.336  -0.020   0.696  0.00  0.00    +0.055 C 
ATOM     25  C   LIG    1        6.568  -0.994   2.914  0.00  0.00    +0.055 C 
ENDBRANCH  21  23
ENDBRANCH  12  21
ENDBRANCH   1  17
BRANCH   4  26
ATOM     26  C   LIG    1       -5.579  -0.259   0.004  0.00  0.00    +0.171 C 
ATOM     27  C   LIG    1       -5.397  -1.777  -0.097  0.00  0.00    +0.240 C 
ATOM     28  O   LIG    1       -4.865  -2.342  -1.052  0.00  0.00    -0.273 OA
ATOM     29  N   LIG    1       -5.937  -2.512   0.934  0.00  0.00    -0.255 N 
ATOM     30  H   LIG    1       -5.830  -3.515   0.865  0.00  0.00    +0.158 HD
ATOM     31  C   LIG    1       -6.483  -2.047   2.105  0.00  0.00    +0.219 C 
ATOM     32  O   LIG    1       -6.877  -2.823   2.971  0.00  0.00    -0.275 OA
ATOM     33  C   LIG    1       -6.631  -0.549   2.236  0.00  0.00    +0.098 C 
ATOM     34  C   LIG    1       -5.543   0.183   1.465  0.00  0.00    +0.041 C 
ENDBRANCH   4  26
TORSDOF 4