REMARK  Name = BDB017286
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.617  -0.583   0.002  0.00  0.00    +0.125 A 
ATOM      2  C   LIG    1        5.020   0.261  -0.962  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1        3.604   0.468  -0.956  0.00  0.00    -0.010 A 
ATOM      4  C   LIG    1        2.829  -0.150   0.056  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1        1.433   0.034   0.106  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1        0.773   0.822  -0.841  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1        1.524   1.431  -1.846  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1        3.454  -0.957   1.014  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1        2.911   1.255  -1.904  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        4.830  -1.176   0.987  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        7.584  -1.730   0.728  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1        6.973  -0.751  -0.104  0.00  0.00    -0.495 OA
ENDBRANCH   1  12
BRANCH   6  13
ATOM     13  C   LIG    1       -0.708   1.049  -0.828  0.00  0.00    +0.167 C 
ATOM     14  O   LIG    1       -1.181   1.889  -1.593  0.00  0.00    -0.292 OA
BRANCH  13  15
ATOM     15  C   LIG    1       -1.587   0.255   0.135  0.00  0.00    +0.074 C 
ATOM     16  C   LIG    1       -3.010   0.121  -0.440  0.00  0.00    +0.096 C 
ATOM     17  N   LIG    1       -3.903  -0.427   0.587  0.00  0.00    -0.299 NA
ATOM     18  C   LIG    1       -4.070   0.472   1.734  0.00  0.00    +0.085 C 
ATOM     19  C   LIG    1       -2.936   1.496   1.887  0.00  0.00    +0.016 C 
ATOM     20  C   LIG    1       -1.580   0.897   1.533  0.00  0.00    +0.014 C 
BRANCH  17  21
ATOM     21  C   LIG    1       -5.114  -0.987  -0.025  0.00  0.00    +0.057 C 
ATOM     22  C   LIG    1       -6.201  -1.405   0.990  0.00  0.00    +0.019 C 
ATOM     23  C   LIG    1       -7.231  -0.841  -0.020  0.00  0.00    +0.003 C 
ATOM     24  C   LIG    1       -6.103   0.069  -0.564  0.00  0.00    +0.019 C 
ENDBRANCH  17  21
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   2  25
ATOM     25  C   LIG    1        5.908   0.900  -2.019  0.00  0.00    +0.157 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.988   0.094  -3.246  0.00  0.00    +0.067 C 
ATOM     27  N   LIG    1        6.051  -0.518  -4.231  0.00  0.00    -0.196 NA
ENDBRANCH  25  26
ENDBRANCH   2  25
TORSDOF 6