REMARK  Name = BDB042751
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.841  -1.841  -2.227  0.00  0.00    +0.029 C 
ATOM      2  C   LIG    1       -0.003  -1.222  -1.107  0.00  0.00    +0.081 C 
ATOM      3  C   LIG    1        0.543   0.157  -0.664  0.00  0.00    +0.090 C 
ATOM      4  C   LIG    1       -0.427   0.824   0.318  0.00  0.00    +0.080 A 
ATOM      5  C   LIG    1       -1.852   0.471   0.207  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -2.759   1.124   1.036  0.00  0.00    +0.054 A 
ATOM      7  C   LIG    1       -2.249   2.099   2.009  0.00  0.00    +0.273 A 
ATOM      8  N   LIG    1       -0.890   2.305   2.000  0.00  0.00    -0.242 N 
ATOM      9  H   LIG    1       -0.517   2.986   2.655  0.00  0.00    +0.192 HD
ATOM     10  O   LIG    1       -3.005   2.684   2.775  0.00  0.00    -0.266 OA
ATOM     11  C   LIG    1       -4.124   0.861   0.931  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1       -4.554  -0.046  -0.026  0.00  0.00    +0.126 A 
ATOM     13  F   LIG    1       -5.864  -0.293  -0.159  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -3.649  -0.703  -0.860  0.00  0.00    +0.062 A 
ATOM     15  C   LIG    1       -2.274  -0.481  -0.727  0.00  0.00    +0.040 A 
ATOM     16  N   LIG    1        0.009   1.709   1.167  0.00  0.00    -0.175 NA
ATOM     17  N   LIG    1       -1.381  -1.102  -1.612  0.00  0.00    -0.340 N 
ATOM     18  H   LIG    1       -1.749  -1.980  -1.977  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   3  19
ATOM     19  C   LIG    1        1.961   0.064  -0.106  0.00  0.00    -0.034 A 
ATOM     20  C   LIG    1        2.247  -0.678   1.052  0.00  0.00    +0.044 A 
ATOM     21  C   LIG    1        3.551  -0.750   1.537  0.00  0.00    +0.142 A 
ATOM     22  F   LIG    1        3.785  -1.474   2.643  0.00  0.00    -0.204 F 
ATOM     23  C   LIG    1        4.589  -0.090   0.886  0.00  0.00    +0.076 A 
ATOM     24 CL   LIG    1        6.202  -0.182   1.480  0.00  0.00    -0.081 Cl
ATOM     25  C   LIG    1        4.321   0.655  -0.261  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1        3.014   0.733  -0.754  0.00  0.00    +0.006 A 
ENDBRANCH   3  19
TORSDOF 1