REMARK  Name = BDB055642
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.415  -0.219  -0.108  0.00  0.00    +0.137 A 
ATOM      2  C   LIG    1       -1.816  -0.177   0.155  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1       -1.971  -0.474   1.510  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1       -3.220  -0.532   2.134  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1       -4.355  -0.282   1.351  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -4.255   0.015  -0.015  0.00  0.00    +0.021 A 
ATOM      7  N   LIG    1       -0.714  -0.685   2.031  0.00  0.00    -0.355 N 
ATOM      8  H   LIG    1       -0.538  -0.944   2.994  0.00  0.00    +0.166 HD
ATOM      9  C   LIG    1       -2.980   0.069  -0.609  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1        0.252  -0.520   1.064  0.00  0.00    +0.062 A 
ENDROOT
BRANCH  10  11
ATOM     11  C   LIG    1        1.700  -0.704   1.393  0.00  0.00    +0.155 C 
ATOM     12  C   LIG    1        2.632   0.326   0.806  0.00  0.00    -0.008 A 
ATOM     13  C   LIG    1        2.653   1.698   0.991  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1        3.634   2.433   0.325  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        4.573   1.792  -0.504  0.00  0.00    +0.014 A 
ATOM     16  C   LIG    1        4.555   0.397  -0.693  0.00  0.00    +0.076 A 
ATOM     17  C   LIG    1        3.572  -0.305  -0.017  0.00  0.00    +0.049 A 
ATOM     18  N   LIG    1        3.328  -1.675  -0.025  0.00  0.00    -0.284 N 
ATOM     19  H   LIG    1        3.840  -2.363  -0.564  0.00  0.00    +0.155 HD
ATOM     20  C   LIG    1        2.234  -2.011   0.766  0.00  0.00    +0.231 C 
ATOM     21  O   LIG    1        1.800  -3.139   0.938  0.00  0.00    -0.274 OA
BRANCH  16  22
ATOM     22  C   LIG    1        5.580  -0.258  -1.569  0.00  0.00    +0.419 C 
ATOM     23  F   LIG    1        6.826  -0.221  -1.019  0.00  0.00    -0.166 F 
ATOM     24  F   LIG    1        5.695   0.341  -2.787  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1        5.331  -1.575  -1.825  0.00  0.00    -0.166 F 
ENDBRANCH  16  22
ENDBRANCH  10  11
BRANCH   6  26
ATOM     26  C   LIG    1       -5.432   0.274  -0.843  0.00  0.00    +0.179 A 
ATOM     27  N   LIG    1       -6.729  -0.001  -0.501  0.00  0.00    -0.239 N 
ATOM     28  H   LIG    1       -7.103  -0.423   0.338  0.00  0.00    +0.192 HD
ATOM     29  N   LIG    1       -7.564   0.357  -1.483  0.00  0.00    -0.046 NA
ATOM     30  N   LIG    1       -6.783   0.842  -2.434  0.00  0.00    -0.023 NA
ATOM     31  N   LIG    1       -5.463   0.793  -2.058  0.00  0.00    -0.108 NA
ENDBRANCH   6  26
BRANCH   1  33
ATOM     32  O   LIG    1       -0.395   0.615  -2.240  0.00  0.00    -0.143 OA
ATOM     33  N   LIG    1        0.258  -0.006  -1.396  0.00  0.00    -0.028 NA
ENDBRANCH   1  33
TORSDOF 4