REMARK  Name = BDB029450
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.443  -0.656  -0.084  0.00  0.00    +0.060 A 
ATOM      2  C   LIG    1       -0.043  -0.787   0.092  0.00  0.00    +0.045 A 
ATOM      3  C   LIG    1        0.435  -1.938   0.744  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -0.438  -2.896   1.273  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1       -1.815  -2.723   1.146  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1       -2.318  -1.611   0.468  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1       -3.229   0.291  -1.455  0.00  0.00    -0.191 N 
ATOM      8  H   LIG    1       -3.456  -0.654  -1.746  0.00  0.00    +0.183 HD
ATOM      9  C   LIG    1       -2.006   0.507  -0.843  0.00  0.00    +0.268 C 
ATOM     10  O   LIG    1       -1.364   1.551  -0.921  0.00  0.00    -0.268 OA
BRANCH   7  12
ATOM     11  C   LIG    1       -4.506   2.163  -1.885  0.00  0.00    +0.226 C 
ATOM     12  O   LIG    1       -3.546   1.266  -2.436  0.00  0.00    -0.283 OA
ENDBRANCH   7  12
ENDBRANCH   1   9
BRANCH   2  13
ATOM     13  N   LIG    1        0.858   0.174  -0.423  0.00  0.00    -0.312 N 
ATOM     14  H   LIG    1        0.380   0.928  -0.940  0.00  0.00    +0.152 HD
BRANCH  13  15
ATOM     15  C   LIG    1        2.118   0.631   0.026  0.00  0.00    +0.067 A 
ATOM     16  C   LIG    1        2.919   1.375  -0.860  0.00  0.00    +0.145 A 
ATOM     17  F   LIG    1        2.457   1.657  -2.089  0.00  0.00    -0.204 F 
ATOM     18  C   LIG    1        4.186   1.833  -0.510  0.00  0.00    +0.054 A 
ATOM     19  C   LIG    1        4.681   1.548   0.758  0.00  0.00    +0.016 A 
ATOM     20  I   LIG    1        6.567   2.220   1.308  0.00  0.00    -0.044 I 
ATOM     21  C   LIG    1        3.912   0.817   1.663  0.00  0.00    +0.016 A 
ATOM     22  C   LIG    1        2.638   0.361   1.296  0.00  0.00    +0.027 A 
ENDBRANCH  13  15
ENDBRANCH   2  13
BRANCH   4  23
ATOM     23  C   LIG    1        0.085  -4.051   1.944  0.00  0.00    +0.099 C 
ATOM     24  N   LIG    1        0.500  -4.986   2.492  0.00  0.00    -0.191 NA
ENDBRANCH   4  23
TORSDOF 5