REMARK  Name = BDB018234
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.792   3.148  -0.503  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -3.825   2.507  -0.102  0.00  0.00    +0.256 A 
ATOM      3  N   LIG    1       -2.920   2.952   0.834  0.00  0.00    -0.258 N 
ATOM      4  C   LIG    1       -1.819   2.209   1.220  0.00  0.00    +0.103 A 
ATOM      5  C   LIG    1       -1.568   0.976   0.736  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -2.523   0.416  -0.238  0.00  0.00    -0.004 A 
ATOM      7  C   LIG    1       -3.588   1.142  -0.630  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   6   8
ATOM      8  C   LIG    1       -2.433  -0.943  -0.816  0.00  0.00    -0.017 A 
ATOM      9  C   LIG    1       -2.096  -1.123  -2.166  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -2.007  -2.408  -2.705  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -2.253  -3.520  -1.901  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -2.588  -3.351  -0.558  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -2.679  -2.067  -0.017  0.00  0.00    +0.008 A 
ENDBRANCH   6   8
BRANCH   5  14
ATOM     14  C   LIG    1       -0.408   0.254   1.171  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1        0.524  -0.372   0.374  0.00  0.00    +0.117 A 
ATOM     16  N   LIG    1        1.446  -0.920   1.224  0.00  0.00    -0.267 N 
ATOM     17  N   LIG    1        1.174  -0.686   2.527  0.00  0.00    -0.179 NA
ATOM     18  C   LIG    1        0.050   0.036   2.488  0.00  0.00    +0.143 A 
BRANCH  16  19
ATOM     19  C   LIG    1        2.596  -1.732   0.850  0.00  0.00    +0.178 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.684  -0.904   0.212  0.00  0.00    -0.026 A 
ATOM     21  C   LIG    1        3.994  -1.056  -1.148  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        5.002  -0.287  -1.733  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        5.709   0.639  -0.968  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.410   0.798   0.384  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.404   0.030   0.972  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   5  14
BRANCH   3  26
ATOM     26  C   LIG    1       -3.096   4.287   1.346  0.00  0.00    +0.450 C 
ATOM     27  F   LIG    1       -2.892   4.295   2.691  0.00  0.00    -0.185 F 
ATOM     28  F   LIG    1       -2.146   5.101   0.814  0.00  0.00    -0.185 F 
ENDBRANCH   3  26
TORSDOF 5