REMARK  Name = BDB017144
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        6.204  -1.375  -0.132  0.00  0.00    +0.125 A 
ATOM      2  C   LIG    1        5.346  -0.395   0.417  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1        3.928  -0.526   0.281  0.00  0.00    -0.010 A 
ATOM      4  C   LIG    1        3.411  -1.672  -0.370  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1        2.023  -1.842  -0.518  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1        1.115  -0.888  -0.044  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1        1.607   0.245   0.598  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1        4.284  -2.639  -0.877  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1        2.988   0.422   0.754  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        5.666  -2.493  -0.765  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        8.444  -2.023  -0.661  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1        7.548  -1.146   0.013  0.00  0.00    -0.495 OA
ENDBRANCH   1  12
BRANCH   6  13
ATOM     13  C   LIG    1       -0.346  -1.144  -0.239  0.00  0.00    +0.167 C 
ATOM     14  O   LIG    1       -0.703  -2.296  -0.482  0.00  0.00    -0.292 OA
BRANCH  13  15
ATOM     15  C   LIG    1       -1.340   0.011  -0.120  0.00  0.00    +0.074 C 
ATOM     16  C   LIG    1       -2.796  -0.509  -0.119  0.00  0.00    +0.096 C 
ATOM     17  N   LIG    1       -3.809   0.519  -0.443  0.00  0.00    -0.299 NA
ATOM     18  C   LIG    1       -3.339   1.873  -0.176  0.00  0.00    +0.085 C 
ATOM     19  C   LIG    1       -2.145   2.197  -1.084  0.00  0.00    +0.016 C 
ATOM     20  C   LIG    1       -1.169   1.028  -1.249  0.00  0.00    +0.014 C 
BRANCH  17  21
ATOM     21  C   LIG    1       -5.128   0.166   0.084  0.00  0.00    +0.057 C 
ATOM     22  C   LIG    1       -5.396   0.452   1.565  0.00  0.00    +0.019 C 
ATOM     23  C   LIG    1       -6.908   0.282   1.695  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1       -7.490   0.580   0.311  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1       -6.298   0.888  -0.594  0.00  0.00    +0.019 C 
ENDBRANCH  17  21
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   2  26
ATOM     26  C   LIG    1        5.963   0.807   1.113  0.00  0.00    +0.157 C 
BRANCH  26  27
ATOM     27  C   LIG    1        6.091   1.970   0.222  0.00  0.00    +0.067 C 
ATOM     28  N   LIG    1        6.177   2.909  -0.455  0.00  0.00    -0.196 NA
ENDBRANCH  26  27
ENDBRANCH   2  26
TORSDOF 6