REMARK  Name = BDB062259
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.552   0.943   0.486  0.00  0.00    +0.044 A 
ATOM      2  C   LIG    1       -2.250   2.023   0.994  0.00  0.00    +0.174 A 
ATOM      3  O   LIG    1       -3.415   1.563   1.542  0.00  0.00    -0.354 OA
ATOM      4  N   LIG    1       -3.489   0.192   1.439  0.00  0.00    -0.077 NA
ATOM      5  C   LIG    1       -2.361  -0.185   0.830  0.00  0.00    +0.121 A 
ENDROOT
BRANCH   5   6
ATOM      6  C   LIG    1       -2.095  -1.595   0.572  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1       -2.583  -2.210  -0.603  0.00  0.00    +0.065 A 
ATOM      8  C   LIG    1       -2.302  -3.572  -0.830  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -1.552  -4.311   0.083  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -1.079  -3.705   1.242  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1       -1.349  -2.356   1.492  0.00  0.00    +0.051 A 
ATOM     12 CL   LIG    1       -0.742  -1.695   2.974  0.00  0.00    -0.083 Cl
BRANCH   7  13
ATOM     13  C   LIG    1       -3.404  -1.446  -1.615  0.00  0.00    +0.418 C 
ATOM     14  F   LIG    1       -4.627  -1.077  -1.151  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1       -3.650  -2.165  -2.750  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -2.793  -0.307  -2.047  0.00  0.00    -0.166 F 
ENDBRANCH   7  13
ENDBRANCH   5   6
BRANCH   2  17
ATOM     17  C   LIG    1       -1.885   3.539   1.009  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1       -2.733   4.492   1.534  0.00  0.00    +0.094 A 
ATOM     19  N   LIG    1       -2.136   5.717   1.407  0.00  0.00    -0.366 N 
ATOM     20  H   LIG    1       -2.537   6.598   1.707  0.00  0.00    +0.165 HD
ATOM     21  C   LIG    1       -0.911   5.561   0.816  0.00  0.00    +0.083 A 
ATOM     22  C   LIG    1       -0.728   4.218   0.560  0.00  0.00    +0.030 A 
ENDBRANCH   2  17
BRANCH   1  23
ATOM     23  C   LIG    1       -0.267   0.880  -0.267  0.00  0.00    +0.146 C 
BRANCH  23  25
ATOM     24  C   LIG    1        1.371   1.108   1.586  0.00  0.00    +0.129 C 
ATOM     25  N   LIG    1        0.876   0.305   0.461  0.00  0.00    -0.328 N 
BRANCH  25  26
ATOM     26  C   LIG    1        1.913  -0.271  -0.289  0.00  0.00    +0.030 A 
ATOM     27  C   LIG    1        2.705  -1.271   0.302  0.00  0.00    +0.024 A 
ATOM     28  C   LIG    1        3.747  -1.892  -0.395  0.00  0.00    +0.017 A 
ATOM     29  C   LIG    1        4.021  -1.521  -1.713  0.00  0.00    +0.059 A 
ATOM     30  C   LIG    1        3.245  -0.530  -2.320  0.00  0.00    +0.017 A 
ATOM     31  C   LIG    1        2.203   0.084  -1.614  0.00  0.00    +0.024 A 
BRANCH  29  32
ATOM     32  C   LIG    1        5.112  -2.144  -2.499  0.00  0.00    +0.337 C 
ATOM     33  O   LIG    1        5.407  -1.872  -3.648  0.00  0.00    -0.245 OA
BRANCH  32  34
ATOM     34  O   LIG    1        5.785  -3.082  -1.809  0.00  0.00    -0.477 OA
ATOM     35  H   LIG    1        6.462  -3.398  -2.443  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  29  32
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   1  23
TORSDOF 8