REMARK  Name = BDB002868
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.836   0.427   0.026  0.00  0.00    +0.254 A 
ATOM      2  O   LIG    1        0.475   0.829  -0.072  0.00  0.00    -0.416 OA
ATOM      3  C   LIG    1        1.146  -0.365  -0.053  0.00  0.00    +0.249 A 
ATOM      4  N   LIG    1        0.335  -1.397   0.043  0.00  0.00    -0.107 NA
ATOM      5  N   LIG    1       -0.944  -0.886   0.094  0.00  0.00    -0.107 NA
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1       -0.877   3.748  -0.139  0.00  0.00    +0.090 C 
ATOM      7  C   LIG    1       -1.969   2.765  -0.023  0.00  0.00    +0.147 A 
ATOM      8  C   LIG    1       -2.035   1.397   0.051  0.00  0.00    +0.108 A 
ATOM      9  C   LIG    1       -3.414   1.098   0.152  0.00  0.00    +0.130 A 
ATOM     10  N   LIG    1       -4.140   2.228   0.137  0.00  0.00    -0.077 NA
ATOM     11  O   LIG    1       -3.233   3.266   0.028  0.00  0.00    -0.359 OA
BRANCH   9  12
ATOM     12  C   LIG    1       -4.053  -0.199   0.265  0.00  0.00    +0.058 A 
ATOM     13  C   LIG    1       -4.196  -0.856   1.493  0.00  0.00    +0.053 A 
ATOM     14 CL   LIG    1       -3.623  -0.173   2.976  0.00  0.00    -0.083 Cl
ATOM     15  C   LIG    1       -4.815  -2.112   1.554  0.00  0.00    +0.021 A 
ATOM     16  C   LIG    1       -5.291  -2.720   0.391  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -5.146  -2.075  -0.834  0.00  0.00    +0.039 A 
ATOM     18  C   LIG    1       -4.530  -0.826  -0.890  0.00  0.00    +0.134 A 
ATOM     19  F   LIG    1       -4.391  -0.238  -2.088  0.00  0.00    -0.205 F 
ENDBRANCH   9  12
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  C   LIG    1        2.600  -0.320  -0.140  0.00  0.00    +0.039 A 
ATOM     21  C   LIG    1        3.303   0.890  -0.237  0.00  0.00    +0.014 A 
ATOM     22  C   LIG    1        4.700   0.903  -0.320  0.00  0.00    +0.013 A 
ATOM     23  C   LIG    1        5.427  -0.296  -0.314  0.00  0.00    +0.055 A 
ATOM     24  C   LIG    1        4.729  -1.507  -0.208  0.00  0.00    +0.013 A 
ATOM     25  C   LIG    1        3.333  -1.517  -0.126  0.00  0.00    +0.014 A 
BRANCH  23  26
ATOM     26  C   LIG    1        6.936  -0.280  -0.380  0.00  0.00    +0.417 C 
ATOM     27  F   LIG    1        7.506  -0.195   0.853  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1        7.426   0.772  -1.093  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        7.458  -1.397  -0.959  0.00  0.00    -0.166 F 
ENDBRANCH  23  26
ENDBRANCH   3  20
TORSDOF 4