REMARK  Name = BDB017243
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.121   0.022  -0.731  0.00  0.00    +0.168 C 
ATOM      2  O   LIG    1        0.022   0.092  -1.956  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1        6.496   0.381   0.642  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1        5.426  -0.110   1.397  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        4.113  -0.092   0.899  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1        3.872   0.431  -0.389  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1        2.560   0.451  -0.889  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        1.486  -0.034  -0.127  0.00  0.00    +0.018 A 
ATOM      9  C   LIG    1        1.734  -0.563   1.142  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        4.951   0.920  -1.141  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        3.036  -0.588   1.650  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        6.254   0.896  -0.629  0.00  0.00    +0.046 A 
BRANCH   3  14
ATOM     13  C   LIG    1        8.838   0.777   0.529  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1        7.715   0.298   1.258  0.00  0.00    -0.495 OA
ENDBRANCH   3  14
ENDBRANCH   1   8
BRANCH   1  15
ATOM     15  C   LIG    1       -1.114   0.031   0.170  0.00  0.00    +0.077 C 
ATOM     16  C   LIG    1       -2.035  -1.220  -0.003  0.00  0.00    +0.002 C 
ATOM     17  C   LIG    1       -3.187  -0.876  -0.954  0.00  0.00    +0.019 C 
ATOM     18  C   LIG    1       -4.003   0.327  -0.447  0.00  0.00    +0.085 C 
ATOM     19  N   LIG    1       -3.229   1.266   0.383  0.00  0.00    -0.299 NA
ATOM     20  C   LIG    1       -1.856   1.360  -0.112  0.00  0.00    +0.096 C 
BRANCH  19  21
ATOM     21  C   LIG    1       -3.987   2.515   0.535  0.00  0.00    +0.057 C 
ATOM     22  C   LIG    1       -3.634   3.648  -0.455  0.00  0.00    +0.019 C 
ATOM     23  C   LIG    1       -3.745   4.610   0.753  0.00  0.00    +0.003 C 
ATOM     24  C   LIG    1       -3.403   3.402   1.658  0.00  0.00    +0.019 C 
ENDBRANCH  19  21
BRANCH  16  25
ATOM     25  C   LIG    1       -1.255  -2.503  -0.374  0.00  0.00    +0.007 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -1.987  -3.865  -0.339  0.00  0.00    -0.017 C 
ATOM     27  C   LIG    1       -2.955  -4.021   0.831  0.00  0.00    +0.007 C 
ATOM     28  C   LIG    1       -2.660  -4.222  -1.665  0.00  0.00    +0.007 C 
ENDBRANCH  25  26
ENDBRANCH  16  25
ENDBRANCH   1  15
TORSDOF 6