REMARK  Name = BDB060796
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.090  -0.772   0.091  0.00  0.00    +0.103 C 
ATOM      2  C   LIG    1       -1.260  -1.274  -0.468  0.00  0.00    +0.134 C 
ATOM      3  C   LIG    1       -2.504  -0.488  -0.149  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1       -3.360  -1.268   0.631  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -4.574  -0.805   1.094  0.00  0.00    +0.023 A 
ATOM      6  C   LIG    1       -4.940   0.495   0.743  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -4.101   1.286  -0.062  0.00  0.00    +0.000 A 
ATOM      8  N   LIG    1       -2.821  -2.532   0.823  0.00  0.00    -0.283 N 
ATOM      9  H   LIG    1       -3.269  -3.291   1.315  0.00  0.00    +0.155 HD
ATOM     10  C   LIG    1       -2.876   0.794  -0.521  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1       -1.601  -2.662   0.175  0.00  0.00    +0.243 C 
ATOM     12  O   LIG    1       -0.933  -3.681   0.098  0.00  0.00    -0.273 OA
ATOM     13  N   LIG    1       -1.084  -1.423  -1.933  0.00  0.00    -0.288 NA
ATOM     14  H   LIG    1       -1.433  -2.329  -2.253  0.00  0.00    +0.124 HD
ATOM     15  C   LIG    1        0.377  -1.300  -2.215  0.00  0.00    +0.168 C 
ATOM     16  C   LIG    1        0.836  -0.277  -1.157  0.00  0.00    +0.058 C 
ENDROOT
BRANCH  16  17
ATOM     17  C   LIG    1        2.338  -0.168  -0.983  0.00  0.00    -0.042 A 
ATOM     18  C   LIG    1        2.976   1.050  -1.271  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        4.357   1.192  -1.115  0.00  0.00    +0.015 A 
ATOM     20  C   LIG    1        5.116   0.112  -0.678  0.00  0.00    +0.018 A 
ATOM     21 BR   LIG    1        6.985   0.300  -0.466  0.00  0.00    -0.050 Br
ATOM     22  C   LIG    1        4.507  -1.109  -0.400  0.00  0.00    +0.015 A 
ATOM     23  C   LIG    1        3.125  -1.249  -0.554  0.00  0.00    +0.005 A 
ENDBRANCH  16  17
BRANCH   1  27
ATOM     24  C   LIG    1        0.051   2.638   3.973  0.00  0.00    +0.071 C 
ATOM     25  C   LIG    1       -0.013   1.480   3.050  0.00  0.00    +0.111 A 
ATOM     26  C   LIG    1        0.182   1.440   1.647  0.00  0.00    +0.191 A 
ATOM     27  C   LIG    1        0.014   0.116   1.292  0.00  0.00    +0.174 A 
ATOM     28  O   LIG    1       -0.277  -0.579   2.437  0.00  0.00    -0.357 OA
ATOM     29  N   LIG    1       -0.297   0.264   3.523  0.00  0.00    -0.081 NA
BRANCH  26  30
ATOM     30  N   LIG    1        0.492   2.552   0.819  0.00  0.00    +0.062 N 
ATOM     31  O   LIG    1       -0.098   2.634  -0.263  0.00  0.00    -0.126 OA
ATOM     32  O   LIG    1        1.308   3.367   1.262  0.00  0.00    -0.126 OA
ENDBRANCH  26  30
ENDBRANCH   1  27
BRANCH  15  33
ATOM     33  C   LIG    1        0.745  -0.879  -3.653  0.00  0.00    +0.405 C 
ATOM     34  F   LIG    1        2.082  -0.876  -3.845  0.00  0.00    -0.169 F 
ATOM     35  F   LIG    1        0.220  -1.749  -4.550  0.00  0.00    -0.169 F 
ATOM     36  F   LIG    1        0.282   0.353  -3.954  0.00  0.00    -0.169 F 
ENDBRANCH  15  33
TORSDOF 4