REMARK  Name = BDB020465
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.398   0.451  -1.490  0.00  0.00    +0.011 A 
ATOM      2  C   LIG    1        0.924   0.402  -0.967  0.00  0.00    +0.010 A 
ATOM      3  C   LIG    1        2.016   0.411  -1.856  0.00  0.00    +0.072 A 
ATOM      4  N   LIG    1        3.293   0.354  -1.444  0.00  0.00    -0.247 NA
ATOM      5  C   LIG    1        3.562   0.284  -0.118  0.00  0.00    +0.076 A 
ATOM      6  C   LIG    1        2.568   0.287   0.853  0.00  0.00    +0.044 A 
ATOM      7  C   LIG    1        1.772   0.477  -3.221  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        0.479   0.536  -3.740  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        1.241   0.338   0.408  0.00  0.00    +0.022 A 
ATOM     10  C   LIG    1       -0.606   0.525  -2.874  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1       -4.233  -1.730   2.082  0.00  0.00    +0.041 C 
ATOM     12  C   LIG    1       -4.532  -0.905   0.835  0.00  0.00    +0.171 C 
ATOM     13  N   LIG    1       -3.375  -0.135   0.420  0.00  0.00    -0.318 N 
ATOM     14  C   LIG    1       -2.499  -0.565  -0.539  0.00  0.00    +0.064 A 
ATOM     15  C   LIG    1       -1.558   0.438  -0.621  0.00  0.00    +0.094 A 
ATOM     16  N   LIG    1       -1.845   1.446   0.267  0.00  0.00    -0.232 NA
ATOM     17  C   LIG    1       -2.693  -1.872  -1.188  0.00  0.00    +0.163 C 
ATOM     18  N   LIG    1       -4.122  -2.131  -1.314  0.00  0.00    -0.297 N 
ATOM     19  C   LIG    1       -4.519  -3.109  -2.311  0.00  0.00    +0.132 C 
ATOM     20  C   LIG    1       -2.956   1.083   0.871  0.00  0.00    +0.114 A 
ATOM     21  C   LIG    1       -5.016  -1.828  -0.287  0.00  0.00    +0.238 C 
ATOM     22  O   LIG    1       -6.157  -2.296  -0.248  0.00  0.00    -0.273 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -3.648   1.942   1.965  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1       -4.921   2.672   1.625  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1       -3.647   3.442   1.815  0.00  0.00    +0.012 C 
ENDBRANCH  20  23
ENDBRANCH   1  15
BRANCH   5  26
ATOM     26  C   LIG    1        4.998   0.217   0.189  0.00  0.00    -0.021 C 
ATOM     27  C   LIG    1        5.856   1.362  -0.284  0.00  0.00    +0.065 C 
ATOM     28  C   LIG    1        7.333   0.970  -0.285  0.00  0.00    +0.165 C 
ATOM     29  O   LIG    1        7.673   0.347   0.956  0.00  0.00    -0.375 OA
ATOM     30  C   LIG    1        7.023  -0.919   1.106  0.00  0.00    +0.187 C 
ATOM     31  C   LIG    1        5.556  -0.843   0.803  0.00  0.00    +0.006 C 
ENDBRANCH   5  26
BRANCH   6  32
ATOM     32  C   LIG    1        2.876   0.233   2.318  0.00  0.00    +0.374 C 
ATOM     33  F   LIG    1        3.179  -1.027   2.740  0.00  0.00    -0.204 F 
ATOM     34  F   LIG    1        1.826   0.625   3.100  0.00  0.00    -0.204 F 
ENDBRANCH   6  32
TORSDOF 4