REMARK  Name = BDB046838
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.234  -0.336   2.289  0.00  0.00    +0.023 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.701  -0.020   2.583  0.00  0.00    +0.075 C 
BRANCH   2  11
ATOM      3  O   LIG    1       -4.857  -3.098  -0.260  0.00  0.00    -0.267 OA
ATOM      4  C   LIG    1       -4.615  -1.923  -0.011  0.00  0.00    +0.259 A 
ATOM      5  C   LIG    1       -5.115  -0.820  -0.848  0.00  0.00    +0.065 A 
ATOM      6  C   LIG    1       -4.772   0.481  -0.468  0.00  0.00    +0.078 A 
ATOM      7  C   LIG    1       -5.233   1.546  -1.244  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -6.020   1.312  -2.377  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -6.353   0.007  -2.743  0.00  0.00    +0.001 A 
ATOM     10  N   LIG    1       -3.982   0.756   0.662  0.00  0.00    -0.234 NA
ATOM     11  C   LIG    1       -3.571  -0.245   1.369  0.00  0.00    +0.110 A 
ATOM     12  C   LIG    1       -5.901  -1.067  -1.978  0.00  0.00    +0.015 A 
ATOM     13  N   LIG    1       -3.855  -1.550   1.068  0.00  0.00    -0.310 N 
ATOM     14  H   LIG    1       -3.516  -2.305   1.646  0.00  0.00    +0.170 HD
ENDBRANCH   2  11
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1       -0.612   0.671   1.308  0.00  0.00    +0.085 C 
BRANCH  15  16
ATOM     16  N   LIG    1        0.840   0.478   1.153  0.00  0.00    -0.298 NA
ATOM     17  C   LIG    1        1.430   1.609   0.418  0.00  0.00    +0.089 C 
ATOM     18  C   LIG    1        2.966   1.515   0.384  0.00  0.00    +0.051 C 
ATOM     19  C   LIG    1        3.451   0.134   0.018  0.00  0.00    -0.039 C 
ATOM     20  C   LIG    1        2.597  -0.905   0.045  0.00  0.00    -0.007 C 
ATOM     21  C   LIG    1        1.161  -0.789   0.475  0.00  0.00    +0.112 C 
BRANCH  19  22
ATOM     22  C   LIG    1        4.858  -0.043  -0.391  0.00  0.00    +0.013 A 
ATOM     23  C   LIG    1        5.686  -0.997   0.218  0.00  0.00    +0.131 A 
ATOM     24  F   LIG    1        5.217  -1.781   1.202  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1        7.017  -1.158  -0.165  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1        7.548  -0.359  -1.175  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1        6.744   0.594  -1.796  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        5.409   0.751  -1.407  0.00  0.00    +0.011 A 
ENDBRANCH  19  22
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5