REMARK  Name = BDB042567
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.765  -0.819   0.588  0.00  0.00    +0.102 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.435  -1.745   0.687  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1       -1.670  -1.196   0.380  0.00  0.00    -0.298 N 
ATOM      4  C   LIG    1       -1.891   0.193  -0.037  0.00  0.00    +0.126 C 
ATOM      5  C   LIG    1       -3.226   0.407  -0.778  0.00  0.00    +0.124 C 
ATOM      6  N   LIG    1       -4.369  -0.096  -0.001  0.00  0.00    -0.325 N 
ATOM      7  C   LIG    1       -4.115  -1.210   0.933  0.00  0.00    +0.124 C 
ATOM      8  C   LIG    1       -2.872  -2.023   0.527  0.00  0.00    +0.126 C 
ATOM      9  O   LIG    1       -0.308  -2.924   1.016  0.00  0.00    -0.276 OA
BRANCH   6  10
ATOM     10  C   LIG    1       -5.643   0.445  -0.134  0.00  0.00    +0.066 A 
ATOM     11  C   LIG    1       -6.647   0.309   0.854  0.00  0.00    +0.147 A 
ATOM     12  F   LIG    1       -6.391  -0.338   2.003  0.00  0.00    -0.203 F 
ATOM     13  C   LIG    1       -7.923   0.852   0.711  0.00  0.00    +0.078 A 
ATOM     14  C   LIG    1       -8.232   1.554  -0.439  0.00  0.00    +0.126 A 
ATOM     15  F   LIG    1       -9.454   2.080  -0.589  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1       -7.288   1.717  -1.441  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1       -6.009   1.167  -1.286  0.00  0.00    +0.029 A 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1        2.040  -1.490   1.103  0.00  0.00    +0.062 C 
BRANCH  18  26
ATOM     19  C   LIG    1        6.400  -1.191  -1.941  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1        6.400  -0.054  -0.954  0.00  0.00    -0.042 A 
ATOM     21  C   LIG    1        5.364   0.126  -0.009  0.00  0.00    -0.005 A 
ATOM     22  C   LIG    1        5.430   1.212   0.889  0.00  0.00    +0.082 A 
ATOM     23  C   LIG    1        4.343   1.397   1.882  0.00  0.00    +0.259 A 
ATOM     24  N   LIG    1        3.321   0.472   1.849  0.00  0.00    -0.326 N 
ATOM     25  H   LIG    1        2.606   0.612   2.554  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1        3.239  -0.583   0.976  0.00  0.00    +0.020 A 
ATOM     27  O   LIG    1        4.322   2.312   2.696  0.00  0.00    -0.267 OA
ATOM     28  C   LIG    1        6.505   2.098   0.844  0.00  0.00    +0.136 A 
ATOM     29  F   LIG    1        6.595   3.140   1.681  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        7.524   1.923  -0.085  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1        4.210  -0.784   0.071  0.00  0.00    +0.030 A 
ATOM     32  C   LIG    1        7.474   0.854  -0.978  0.00  0.00    +0.007 A 
ENDBRANCH  18  26
ENDBRANCH   1  18
TORSDOF 4