REMARK  Name = BDB049505
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.735  -0.179  -0.666  0.00  0.00    +0.051 C 
ATOM      2  C   LIG    1        0.248  -1.320  -0.296  0.00  0.00    +0.079 C 
ATOM      3  C   LIG    1        1.549  -0.801  -0.938  0.00  0.00    +0.104 C 
ATOM      4  N   LIG    1        1.563   0.615  -0.550  0.00  0.00    -0.296 NA
ATOM      5  C   LIG    1        0.166   1.078  -0.582  0.00  0.00    +0.094 C 
ENDROOT
BRANCH   1   9
ATOM      6  C   LIG    1       -4.505   0.305   1.475  0.00  0.00    +0.161 A 
ATOM      7  C   LIG    1       -4.097   1.230   0.503  0.00  0.00    +0.162 A 
ATOM      8  C   LIG    1       -2.888   1.040  -0.183  0.00  0.00    +0.053 A 
ATOM      9  C   LIG    1       -2.029  -0.031   0.113  0.00  0.00    -0.038 A 
ATOM     10  C   LIG    1       -2.437  -0.933   1.098  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1       -3.656  -0.768   1.770  0.00  0.00    +0.049 A 
BRANCH   6  13
ATOM     12  C   LIG    1       -6.207  -0.520   2.936  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1       -5.727   0.494   2.063  0.00  0.00    -0.491 OA
ENDBRANCH   6  13
BRANCH   7  14
ATOM     14  O   LIG    1       -4.802   2.329   0.077  0.00  0.00    -0.491 OA
ATOM     15  C   LIG    1       -5.479   3.055   1.097  0.00  0.00    +0.277 C 
ENDBRANCH   7  14
ENDBRANCH   1   9
BRANCH   2  16
ATOM     16  N   LIG    1       -0.175  -2.701  -0.625  0.00  0.00    -0.304 NA
ATOM     17  C   LIG    1       -0.446  -2.941  -2.040  0.00  0.00    +0.104 C 
ATOM     18  C   LIG    1        0.787  -3.683  -0.123  0.00  0.00    +0.104 C 
ENDBRANCH   2  16
BRANCH   4  19
ATOM     19  C   LIG    1        2.451   1.440  -1.372  0.00  0.00    +0.122 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.915   1.094  -1.202  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        4.601   0.513  -2.279  0.00  0.00    +0.128 A 
ATOM     22  F   LIG    1        3.959   0.273  -3.432  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1        5.945   0.165  -2.190  0.00  0.00    +0.039 A 
ATOM     24  C   LIG    1        6.636   0.390  -1.005  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1        5.977   0.965   0.083  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        4.620   1.329  -0.001  0.00  0.00    -0.043 A 
ATOM     27  C   LIG    1        3.951   1.919   1.211  0.00  0.00    +0.044 C 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 6