REMARK  Name = BDB029415
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.024  -1.312   1.045  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1       -3.983  -0.852   0.599  0.00  0.00    +0.292 C 
ATOM      3  C   LIG    1       -3.795   0.212  -0.526  0.00  0.00    +0.350 C 
ATOM      4  F   LIG    1       -4.334  -0.197  -1.710  0.00  0.00    -0.190 F 
ATOM      5  F   LIG    1       -4.401   1.395  -0.217  0.00  0.00    -0.190 F 
ATOM      6  C   LIG    1       -2.296   0.327  -0.582  0.00  0.00    +0.051 A 
ATOM      7  C   LIG    1       -1.723  -0.530   0.354  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1       -0.357  -0.634   0.526  0.00  0.00    +0.032 A 
ATOM      9  C   LIG    1        0.479   0.161  -0.279  0.00  0.00    -0.016 A 
ATOM     10  C   LIG    1       -0.112   1.032  -1.229  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1       -1.501   1.121  -1.387  0.00  0.00    +0.012 A 
ATOM     12  N   LIG    1       -2.709  -1.218   1.044  0.00  0.00    -0.280 N 
ATOM     13  H   LIG    1       -2.561  -1.897   1.777  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   9  14
ATOM     14  C   LIG    1        1.942   0.092  -0.137  0.00  0.00    -0.015 A 
ATOM     15  C   LIG    1        2.699   1.242   0.120  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1        4.074   1.127   0.250  0.00  0.00    +0.111 A 
ATOM     17  N   LIG    1        4.743  -0.038   0.139  0.00  0.00    -0.263 NA
ATOM     18  C   LIG    1        4.004  -1.138  -0.112  0.00  0.00    +0.111 A 
ATOM     19  C   LIG    1        2.625  -1.124  -0.253  0.00  0.00    +0.028 A 
ENDBRANCH   9  14
TORSDOF 1