REMARK  Name = BDB011676
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.613  -0.744   0.217  0.00  0.00    +0.152 A 
ATOM      2  C   LIG    1       -1.610  -1.833   0.287  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -1.226  -3.139  -0.067  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1       -2.138  -4.199  -0.028  0.00  0.00    +0.052 A 
ATOM      5  C   LIG    1       -3.441  -3.950   0.374  0.00  0.00    +0.124 A 
ATOM      6  C   LIG    1       -3.848  -2.672   0.739  0.00  0.00    +0.039 A 
ATOM      7  F   LIG    1       -4.323  -4.957   0.417  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1        0.177  -3.397  -0.471  0.00  0.00    +0.257 A 
ATOM      9  O   LIG    1        0.561  -4.514  -0.795  0.00  0.00    -0.267 OA
ATOM     10  N   LIG    1        1.026  -2.317  -0.452  0.00  0.00    -0.319 N 
ATOM     11  H   LIG    1        1.990  -2.519  -0.690  0.00  0.00    +0.169 HD
ATOM     12  C   LIG    1       -2.934  -1.614   0.698  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        0.665  -1.034  -0.111  0.00  0.00    +0.092 A 
ENDROOT
BRANCH  13  14
ATOM     14  C   LIG    1        1.734  -0.016  -0.142  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1        2.038   0.744   0.997  0.00  0.00    +0.022 A 
ATOM     16  C   LIG    1        3.056   1.712   0.973  0.00  0.00    +0.055 A 
ATOM     17  C   LIG    1        3.770   1.916  -0.217  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1        3.481   1.161  -1.353  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        2.470   0.199  -1.316  0.00  0.00    +0.010 A 
BRANCH  16  20
ATOM     20  C   LIG    1        3.343   2.543   2.199  0.00  0.00    +0.417 C 
ATOM     21  F   LIG    1        2.500   3.607   2.307  0.00  0.00    -0.166 F 
ATOM     22  F   LIG    1        3.214   1.843   3.360  0.00  0.00    -0.166 F 
ATOM     23  F   LIG    1        4.603   3.061   2.215  0.00  0.00    -0.166 F 
ENDBRANCH  16  20
ENDBRANCH  13  14
BRANCH   1  24
ATOM     24  O   LIG    1       -1.044   0.517   0.583  0.00  0.00    -0.488 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -1.417   1.296  -0.565  0.00  0.00    +0.244 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -1.821   2.691  -0.079  0.00  0.00    +0.119 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -2.204   3.575  -1.179  0.00  0.00    -0.327 NA
ATOM     28  H   LIG    1       -2.469   4.484  -0.798  0.00  0.00    +0.118 HD
ATOM     29  H   LIG    1       -1.395   3.749  -1.775  0.00  0.00    +0.118 HD
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 6