REMARK  Name = BDB027055
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.620   0.572   0.853  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.578  -0.661   1.749  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -0.636  -1.949   1.193  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -0.587  -3.078   2.013  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -0.480  -2.934   3.395  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -0.423  -1.662   3.961  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -0.471  -0.532   3.144  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   9
ATOM      8  O   LIG    1        0.873   2.377   1.564  0.00  0.00    -0.290 OA
ATOM      9  C   LIG    1        0.738   1.329   0.926  0.00  0.00    +0.186 C 
BRANCH   9  10
ATOM     10  C   LIG    1        1.913   0.728   0.274  0.00  0.00    +0.045 A 
ATOM     11  C   LIG    1        2.051  -0.045  -0.930  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        3.402  -0.410  -1.039  0.00  0.00    +0.050 A 
ATOM     13  C   LIG    1        3.883  -1.201  -2.098  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1        2.984  -1.615  -3.081  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        1.648  -1.245  -3.019  0.00  0.00    +0.001 A 
ATOM     16  N   LIG    1        4.065   0.158   0.027  0.00  0.00    -0.337 N 
ATOM     17  C   LIG    1        1.176  -0.460  -1.961  0.00  0.00    +0.011 A 
ATOM     18  C   LIG    1        3.186   0.855   0.805  0.00  0.00    +0.098 A 
BRANCH  16  19
ATOM     19  C   LIG    1        5.477   0.010   0.329  0.00  0.00    +0.235 C 
BRANCH  19  20
ATOM     20  C   LIG    1        6.351   0.995  -0.411  0.00  0.00    +0.407 C 
ATOM     21  F   LIG    1        6.024   2.276  -0.142  0.00  0.00    -0.169 F 
ATOM     22  F   LIG    1        6.306   0.818  -1.749  0.00  0.00    -0.169 F 
ATOM     23  F   LIG    1        7.645   0.829  -0.036  0.00  0.00    -0.169 F 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   1  24
ATOM     24  N   LIG    1       -1.775   1.423   1.238  0.00  0.00    -0.303 NA
ATOM     25  H   LIG    1       -2.600   0.827   1.315  0.00  0.00    +0.123 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -2.059   2.521   0.308  0.00  0.00    +0.086 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -2.592   2.114  -1.079  0.00  0.00    +0.050 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.822   1.236  -1.037  0.00  0.00    -0.046 A 
ATOM     29  C   LIG    1       -5.045   1.746  -0.578  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -6.178   0.931  -0.526  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -6.095  -0.397  -0.936  0.00  0.00    +0.041 A 
ATOM     32 CL   LIG    1       -7.491  -1.401  -0.873  0.00  0.00    -0.084 Cl
ATOM     33  C   LIG    1       -4.889  -0.917  -1.398  0.00  0.00    +0.020 A 
ATOM     34  C   LIG    1       -3.755  -0.103  -1.450  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 9