REMARK  Name = BDB055410
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.678   3.785  -0.509  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.624   2.563  -0.438  0.00  0.00    +0.244 C 
ATOM      3  N   LIG    1        0.564   1.866  -0.342  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1        0.546   0.879  -0.589  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.872   1.749  -0.486  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -1.938   0.448   0.025  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1       -3.135  -0.274  -0.048  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -4.288   0.284  -0.624  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1       -4.210   1.594  -1.119  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -3.018   2.322  -1.048  0.00  0.00    +0.013 A 
BRANCH   8  11
ATOM     11  C   LIG    1       -5.541  -0.481  -0.702  0.00  0.00    -0.018 A 
ATOM     12  C   LIG    1       -6.139  -1.007   0.455  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -7.327  -1.738   0.381  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -7.935  -1.958  -0.855  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -7.361  -1.442  -2.013  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -6.173  -0.709  -1.936  0.00  0.00    +0.008 A 
ENDBRANCH   8  11
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  C   LIG    1        1.845   2.546  -0.456  0.00  0.00    +0.127 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.952   1.825   0.289  0.00  0.00    +0.192 C 
BRANCH  18  19
ATOM     19  S   LIG    1        3.401   0.323  -0.544  0.00  0.00    +0.015 S 
ATOM     20  O   LIG    1        2.238  -0.552  -0.549  0.00  0.00    -0.168 OA
ATOM     21  O   LIG    1        4.062   0.678  -1.787  0.00  0.00    -0.168 OA
BRANCH  19  22
ATOM     22  C   LIG    1        4.629  -0.446   0.486  0.00  0.00    +0.176 A 
ATOM     23  N   LIG    1        4.858   0.176   1.672  0.00  0.00    -0.236 NA
ATOM     24  C   LIG    1        5.806  -0.385   2.457  0.00  0.00    +0.125 A 
ATOM     25  C   LIG    1        6.535  -1.520   2.110  0.00  0.00    +0.073 A 
ATOM     26  C   LIG    1        6.263  -2.123   0.872  0.00  0.00    +0.017 A 
ATOM     27  C   LIG    1        5.294  -1.577   0.035  0.00  0.00    +0.048 A 
BRANCH  25  28
ATOM     28  C   LIG    1        7.559  -2.060   3.063  0.00  0.00    +0.419 C 
ATOM     29  F   LIG    1        6.994  -2.601   4.177  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        8.339  -3.036   2.525  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1        8.416  -1.100   3.506  0.00  0.00    -0.166 F 
ENDBRANCH  25  28
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 7