REMARK  Name = BDB017522
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.461  -1.067  -1.014  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1        0.946  -2.433  -0.556  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -0.255  -2.604  -1.471  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -0.806  -1.179  -1.589  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1        0.323  -0.285  -1.430  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1        2.626   1.199   3.153  0.00  0.00    +0.131 A 
ATOM      7  C   LIG    1        2.835   0.765   1.840  0.00  0.00    +0.094 A 
ATOM      8  C   LIG    1        3.854   0.870   0.876  0.00  0.00    +0.153 A 
ATOM      9  C   LIG    1        3.475   0.215  -0.266  0.00  0.00    +0.129 A 
ATOM     10  N   LIG    1        2.220  -0.308  -0.032  0.00  0.00    -0.300 N 
ATOM     11  F   LIG    1        5.015   1.515   1.037  0.00  0.00    -0.203 F 
ATOM     12  C   LIG    1        1.817   0.028   1.243  0.00  0.00    +0.151 A 
ATOM     13  N   LIG    1        0.645  -0.300   1.818  0.00  0.00    -0.217 NA
ATOM     14  C   LIG    1        0.560   0.166   3.077  0.00  0.00    +0.225 A 
ATOM     15  N   LIG    1        1.463   0.891   3.760  0.00  0.00    -0.220 NA
BRANCH   6  16
ATOM     16  N   LIG    1        3.546   1.941   3.875  0.00  0.00    -0.342 N 
ATOM     17  H   LIG    1        4.212   2.468   3.325  0.00  0.00    +0.144 HD
ATOM     18  H   LIG    1        3.117   2.412   4.662  0.00  0.00    +0.144 HD
ENDBRANCH   6  16
ENDBRANCH   1  10
BRANCH   2  19
ATOM     19  O   LIG    1        1.893  -3.485  -0.750  0.00  0.00    -0.385 OA
ATOM     20  H   LIG    1        1.795  -3.752  -1.689  0.00  0.00    +0.210 HD
ENDBRANCH   2  19
BRANCH   3  21
ATOM     21  O   LIG    1        0.243  -3.064  -2.747  0.00  0.00    -0.386 OA
ATOM     22  H   LIG    1       -0.535  -3.197  -3.321  0.00  0.00    +0.210 HD
ENDBRANCH   3  21
BRANCH   4  23
ATOM     23  C   LIG    1       -1.886  -0.864  -0.531  0.00  0.00    +0.176 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.512   0.504  -0.744  0.00  0.00    -0.014 A 
ATOM     25  C   LIG    1       -2.049   1.608  -0.010  0.00  0.00    +0.047 A 
ATOM     26  C   LIG    1       -2.607   2.868  -0.212  0.00  0.00    +0.159 A 
ATOM     27  F   LIG    1       -2.156   3.908   0.502  0.00  0.00    -0.202 F 
ATOM     28  C   LIG    1       -3.622   3.047  -1.142  0.00  0.00    +0.158 A 
ATOM     29  F   LIG    1       -4.159   4.259  -1.332  0.00  0.00    -0.202 F 
ATOM     30  C   LIG    1       -4.089   1.970  -1.887  0.00  0.00    +0.041 A 
ATOM     31  C   LIG    1       -3.534   0.702  -1.692  0.00  0.00    +0.009 A 
ENDBRANCH  23  24
BRANCH  23  32
ATOM     32  O   LIG    1       -2.913  -1.859  -0.574  0.00  0.00    -0.385 OA
ATOM     33  H   LIG    1       -3.636  -1.540  -0.004  0.00  0.00    +0.210 HD
ENDBRANCH  23  32
ENDBRANCH   4  23
TORSDOF 7