REMARK  Name = BDB042445
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.637  -1.013  -2.115  0.00  0.00    +0.021 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.059  -1.558  -2.306  0.00  0.00    +0.054 C 
BRANCH   2  10
ATOM      3  C   LIG    1       -5.742  -1.767   1.539  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -5.851  -0.453   0.811  0.00  0.00    -0.042 A 
ATOM      5  C   LIG    1       -5.001  -0.113  -0.266  0.00  0.00    -0.005 A 
ATOM      6  C   LIG    1       -5.160   1.136  -0.903  0.00  0.00    +0.082 A 
ATOM      7  C   LIG    1       -4.267   1.490  -2.034  0.00  0.00    +0.259 A 
ATOM      8  N   LIG    1       -3.320   0.551  -2.382  0.00  0.00    -0.326 N 
ATOM      9  H   LIG    1       -2.724   0.821  -3.156  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1       -3.150  -0.664  -1.768  0.00  0.00    +0.020 A 
ATOM     11  O   LIG    1       -4.342   2.550  -2.644  0.00  0.00    -0.267 OA
ATOM     12  C   LIG    1       -6.145   2.023  -0.475  0.00  0.00    +0.136 A 
ATOM     13  F   LIG    1       -6.322   3.217  -1.058  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -6.982   1.690   0.584  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1       -3.948  -1.020  -0.750  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1       -6.837   0.461   1.223  0.00  0.00    +0.007 A 
ENDBRANCH   2  10
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1       -0.259  -0.834  -0.637  0.00  0.00    +0.085 C 
BRANCH  17  18
ATOM     18  N   LIG    1        1.110  -0.321  -0.471  0.00  0.00    -0.298 NA
ATOM     19  C   LIG    1        2.134  -1.349  -0.712  0.00  0.00    +0.089 C 
ATOM     20  C   LIG    1        3.543  -0.728  -0.683  0.00  0.00    +0.051 C 
ATOM     21  C   LIG    1        3.760   0.158   0.520  0.00  0.00    -0.042 C 
ATOM     22  C   LIG    1        2.698   0.591   1.227  0.00  0.00    -0.008 C 
ATOM     23  C   LIG    1        1.276   0.246   0.879  0.00  0.00    +0.112 C 
BRANCH  21  24
ATOM     24  C   LIG    1        5.141   0.535   0.881  0.00  0.00    -0.019 A 
ATOM     25  C   LIG    1        5.570   0.509   2.215  0.00  0.00    +0.047 A 
ATOM     26  C   LIG    1        6.882   0.851   2.542  0.00  0.00    +0.141 A 
ATOM     27  F   LIG    1        7.252   0.811   3.830  0.00  0.00    -0.204 F 
ATOM     28  C   LIG    1        7.793   1.222   1.558  0.00  0.00    +0.087 A 
ATOM     29  C   LIG    1        7.381   1.247   0.224  0.00  0.00    +0.022 A 
ATOM     30  C   LIG    1        6.065   0.902  -0.110  0.00  0.00    +0.009 A 
BRANCH  28  31
ATOM     31  C   LIG    1        9.135   1.569   1.909  0.00  0.00    +0.102 C 
ATOM     32  N   LIG    1       10.232   1.854   2.160  0.00  0.00    -0.191 NA
ENDBRANCH  28  31
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 6