REMARK  Name = BDB031244
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.554   0.903   0.714  0.00  0.00    -0.247 OA
ATOM      2  C   LIG    1       -4.418   0.559   0.443  0.00  0.00    +0.325 A 
ATOM      3  N   LIG    1       -3.231   1.192   0.843  0.00  0.00    -0.306 N 
ATOM      4  H   LIG    1       -3.208   2.022   1.413  0.00  0.00    +0.170 HD
ATOM      5  C   LIG    1       -2.151   0.484   0.324  0.00  0.00    +0.070 A 
ATOM      6  C   LIG    1       -2.652  -0.586  -0.396  0.00  0.00    +0.085 A 
ATOM      7  C   LIG    1       -1.788  -1.440  -1.010  0.00  0.00    +0.139 A 
ATOM      8  N   LIG    1       -0.448  -1.250  -0.919  0.00  0.00    -0.253 NA
ATOM      9  C   LIG    1        0.047  -0.183  -0.201  0.00  0.00    +0.073 A 
ATOM     10  C   LIG    1       -0.803   0.720   0.446  0.00  0.00    +0.056 A 
ATOM     11  N   LIG    1       -4.040  -0.549  -0.330  0.00  0.00    -0.305 N 
ATOM     12  H   LIG    1       -4.695  -1.188  -0.750  0.00  0.00    +0.170 HD
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1        1.534  -0.080  -0.174  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        2.222   0.945   0.510  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        3.622   1.014   0.516  0.00  0.00    +0.039 A 
ATOM     16  C   LIG    1        4.361   0.059  -0.164  0.00  0.00    +0.123 A 
ATOM     17  F   LIG    1        5.699   0.128  -0.156  0.00  0.00    -0.205 F 
ATOM     18  C   LIG    1        3.729  -0.965  -0.849  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1        2.332  -1.030  -0.852  0.00  0.00    +0.013 A 
ENDBRANCH   9  13
TORSDOF 1