REMARK  Name = BDB045294
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.831  -2.404  -0.141  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -3.218  -0.951  -0.111  0.00  0.00    -0.024 A 
ATOM      3  C   LIG    1       -2.231   0.048  -0.035  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1       -2.634   1.388  -0.011  0.00  0.00    +0.065 A 
ATOM      5  C   LIG    1       -1.582   2.414   0.073  0.00  0.00    +0.259 A 
ATOM      6  N   LIG    1       -0.294   1.946   0.087  0.00  0.00    -0.306 N 
ATOM      7  H   LIG    1        0.411   2.659   0.196  0.00  0.00    +0.170 HD
ATOM      8  C   LIG    1        0.027   0.609   0.064  0.00  0.00    +0.141 A 
ATOM      9  O   LIG    1       -1.835   3.611   0.135  0.00  0.00    -0.267 OA
ATOM     10  C   LIG    1       -3.983   1.751  -0.058  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1       -4.954   0.757  -0.133  0.00  0.00    +0.001 A 
ATOM     12  N   LIG    1       -0.872  -0.321   0.016  0.00  0.00    -0.229 NA
ATOM     13  C   LIG    1       -4.574  -0.586  -0.160  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   8  14
ATOM     14  C   LIG    1        1.473   0.261   0.116  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1        1.849  -0.963   0.684  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        3.196  -1.327   0.752  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1        4.190  -0.474   0.250  0.00  0.00    +0.055 A 
ATOM     18  C   LIG    1        3.806   0.741  -0.341  0.00  0.00    +0.013 A 
ATOM     19  C   LIG    1        2.457   1.107  -0.408  0.00  0.00    +0.012 A 
BRANCH  17  20
ATOM     20  C   LIG    1        5.646  -0.877   0.299  0.00  0.00    +0.417 C 
ATOM     21  F   LIG    1        5.940  -1.692   1.350  0.00  0.00    -0.166 F 
ATOM     22  F   LIG    1        6.488   0.189   0.408  0.00  0.00    -0.166 F 
ATOM     23  F   LIG    1        6.034  -1.549  -0.819  0.00  0.00    -0.166 F 
ENDBRANCH  17  20
ENDBRANCH   8  14
TORSDOF 2