REMARK  Name = BDB028214
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.517   0.599  -0.787  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -1.347   0.617   0.127  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -1.543   1.145   1.398  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -0.487   1.202   2.312  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        0.772   0.718   1.950  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        0.997   0.167   0.677  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -2.879   1.632   1.777  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -3.093   2.111   2.885  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -3.858   1.513   0.822  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -4.788   1.842   1.066  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1       -0.082   0.124  -0.228  0.00  0.00    +0.019 A 
ATOM     12  N   LIG    1       -3.698   1.018  -0.435  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        2.319  -0.358   0.301  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1        2.474  -1.633  -0.261  0.00  0.00    +0.050 A 
ATOM     15  C   LIG    1        3.741  -2.089  -0.600  0.00  0.00    +0.142 A 
ATOM     16  F   LIG    1        3.898  -3.306  -1.135  0.00  0.00    -0.204 F 
ATOM     17  C   LIG    1        4.833  -1.272  -0.377  0.00  0.00    +0.149 A 
ATOM     18  N   LIG    1        4.739  -0.035   0.160  0.00  0.00    -0.260 NA
ATOM     19  C   LIG    1        3.490   0.387   0.482  0.00  0.00    +0.119 A 
ENDBRANCH   6  13
BRANCH   1  20
ATOM     20  C   LIG    1       -2.364   0.066  -2.209  0.00  0.00    +0.136 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -2.323  -1.398  -2.174  0.00  0.00    -0.325 NA
ATOM     22  H   LIG    1       -3.196  -1.730  -1.755  0.00  0.00    +0.119 HD
ATOM     23  H   LIG    1       -2.336  -1.749  -3.131  0.00  0.00    +0.119 HD
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 3