REMARK  Name = BDB006186
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.548   0.359  -0.637  0.00  0.00    +0.146 C 
ATOM      2  N   LIG    1       -0.972   1.729  -0.238  0.00  0.00    -0.254 N 
ATOM      3  C   LIG    1        0.030   2.399   0.522  0.00  0.00    +0.272 C 
ATOM      4  O   LIG    1        0.038   3.530   0.979  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        1.102   1.432   0.639  0.00  0.00    +0.153 A 
ATOM      6  N   LIG    1        2.296   1.411   1.216  0.00  0.00    -0.166 NA
ATOM      7  N   LIG    1        2.747   0.152   0.939  0.00  0.00    -0.265 N 
ATOM      8  C   LIG    1        1.879  -0.583   0.139  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1        0.790   0.249  -0.011  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -1.724   0.064   2.279  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -1.913  -0.950   1.182  0.00  0.00    -0.044 A 
ATOM     12  C   LIG    1       -1.381  -0.810  -0.124  0.00  0.00    -0.019 A 
ATOM     13  C   LIG    1       -1.629  -1.849  -1.056  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -2.374  -2.980  -0.722  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -2.892  -3.100   0.558  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -3.811  -4.490   0.983  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -2.667  -2.100   1.500  0.00  0.00    +0.023 A 
ENDBRANCH   1  12
BRANCH   2  18
ATOM     18  C   LIG    1       -2.198   2.315  -0.681  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1       -2.634   3.563  -0.205  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1       -3.842   4.123  -0.640  0.00  0.00    +0.078 A 
ATOM     21 CL   LIG    1       -4.340   5.652  -0.022  0.00  0.00    -0.081 Cl
ATOM     22  C   LIG    1       -4.633   3.445  -1.558  0.00  0.00    +0.142 A 
ATOM     23  F   LIG    1       -5.793   3.961  -1.988  0.00  0.00    -0.204 F 
ATOM     24  C   LIG    1       -4.229   2.211  -2.045  0.00  0.00    +0.041 A 
ATOM     25  C   LIG    1       -3.021   1.652  -1.610  0.00  0.00    +0.026 A 
ENDBRANCH   2  18
BRANCH   8  26
ATOM     26  C   LIG    1        2.093  -1.966  -0.410  0.00  0.00    +0.032 C 
ATOM     27  C   LIG    1        2.024  -3.038   0.675  0.00  0.00    +0.014 C 
ATOM     28  C   LIG    1        3.347  -2.085  -1.273  0.00  0.00    +0.014 C 
ENDBRANCH   8  26
BRANCH   7  29
ATOM     29  C   LIG    1        4.043  -0.211   1.492  0.00  0.00    +0.171 C 
BRANCH  29  30
ATOM     30  C   LIG    1        5.161   0.619   0.870  0.00  0.00    +0.179 C 
BRANCH  30  31
ATOM     31  O   LIG    1        5.166   1.953   1.374  0.00  0.00    -0.393 OA
ATOM     32  H   LIG    1        4.235   2.268   1.348  0.00  0.00    +0.209 HD
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH   7  29
TORSDOF 6