REMARK  Name = BDB042754
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.836  -1.701  -2.338  0.00  0.00    +0.029 C 
ATOM      2  C   LIG    1        0.002  -1.163  -1.170  0.00  0.00    +0.081 C 
ATOM      3  C   LIG    1        0.524   0.205  -0.665  0.00  0.00    +0.090 C 
ATOM      4  C   LIG    1       -0.440   0.795   0.370  0.00  0.00    +0.080 A 
ATOM      5  C   LIG    1       -1.857   0.414   0.269  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -2.761   1.000   1.150  0.00  0.00    +0.054 A 
ATOM      7  C   LIG    1       -2.253   1.936   2.162  0.00  0.00    +0.273 A 
ATOM      8  N   LIG    1       -0.900   2.175   2.136  0.00  0.00    -0.242 N 
ATOM      9  H   LIG    1       -0.529   2.830   2.818  0.00  0.00    +0.192 HD
ATOM     10  O   LIG    1       -3.006   2.461   2.974  0.00  0.00    -0.266 OA
ATOM     11  C   LIG    1       -4.122   0.710   1.059  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1       -4.552  -0.156   0.064  0.00  0.00    +0.126 A 
ATOM     13  F   LIG    1       -5.857  -0.428  -0.054  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -3.650  -0.746  -0.822  0.00  0.00    +0.062 A 
ATOM     15  C   LIG    1       -2.278  -0.498  -0.705  0.00  0.00    +0.040 A 
ATOM     16  N   LIG    1       -0.006   1.645   1.255  0.00  0.00    -0.175 NA
ATOM     17  N   LIG    1       -1.389  -1.049  -1.640  0.00  0.00    -0.340 N 
ATOM     18  H   LIG    1       -1.745  -1.917  -2.042  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   3  19
ATOM     19  C   LIG    1        1.957   0.117  -0.142  0.00  0.00    -0.034 A 
ATOM     20  C   LIG    1        2.284  -0.677   0.969  0.00  0.00    +0.044 A 
ATOM     21  C   LIG    1        3.600  -0.743   1.423  0.00  0.00    +0.142 A 
ATOM     22  F   LIG    1        3.874  -1.517   2.484  0.00  0.00    -0.204 F 
ATOM     23  C   LIG    1        4.608  -0.024   0.787  0.00  0.00    +0.076 A 
ATOM     24 CL   LIG    1        6.235  -0.107   1.342  0.00  0.00    -0.081 Cl
ATOM     25  C   LIG    1        4.298   0.773  -0.314  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1        2.979   0.844  -0.775  0.00  0.00    +0.006 A 
ENDBRANCH   3  19
TORSDOF 1