REMARK  Name = BDB017287
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.468  -0.534   0.472  0.00  0.00    +0.125 A 
ATOM      2  C   LIG    1        4.726   0.253  -0.438  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1        3.311   0.077  -0.551  0.00  0.00    -0.010 A 
ATOM      4  C   LIG    1        2.674  -0.861   0.296  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1        1.284  -1.056   0.226  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1        0.494  -0.336  -0.677  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1        1.106   0.570  -1.537  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1        3.430  -1.606   1.207  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1        2.490   0.775  -1.471  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        4.813  -1.450   1.292  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        7.622  -1.215   1.253  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1        6.823  -0.323   0.484  0.00  0.00    -0.495 OA
ENDBRANCH   1  12
BRANCH   6  13
ATOM     13  C   LIG    1       -0.975  -0.602  -0.700  0.00  0.00    +0.167 C 
ATOM     14  O   LIG    1       -1.353  -1.721  -0.356  0.00  0.00    -0.292 OA
BRANCH  13  15
ATOM     15  C   LIG    1       -1.932   0.497  -1.179  0.00  0.00    +0.074 C 
ATOM     16  C   LIG    1       -3.404   0.021  -1.162  0.00  0.00    +0.096 C 
ATOM     17  N   LIG    1       -4.053   0.329   0.127  0.00  0.00    -0.299 NA
ATOM     18  C   LIG    1       -4.183   1.786   0.309  0.00  0.00    +0.085 C 
ATOM     19  C   LIG    1       -3.051   2.594  -0.336  0.00  0.00    +0.016 C 
ATOM     20  C   LIG    1       -1.753   1.798  -0.375  0.00  0.00    +0.014 C 
BRANCH  17  21
ATOM     21  C   LIG    1       -5.380  -0.324   0.191  0.00  0.00    +0.057 C 
ATOM     22  C   LIG    1       -5.202  -1.837   0.510  0.00  0.00    +0.019 C 
ATOM     23  C   LIG    1       -5.267  -1.490   2.010  0.00  0.00    +0.003 C 
ATOM     24  C   LIG    1       -5.998  -0.196   1.611  0.00  0.00    +0.019 C 
ENDBRANCH  17  21
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   2  25
ATOM     25  C   LIG    1        5.469   1.253  -1.310  0.00  0.00    +0.157 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.812   0.705  -2.631  0.00  0.00    +0.067 C 
ATOM     27  N   LIG    1        6.072   0.305  -3.689  0.00  0.00    -0.196 NA
ENDBRANCH  25  26
ENDBRANCH   2  25
TORSDOF 6