REMARK  Name = BDB020527
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.662   0.362   0.390  0.00  0.00    +0.154 A 
ATOM      2  N   LIG    1        2.575  -0.299   0.860  0.00  0.00    -0.236 NA
ATOM      3  C   LIG    1        1.353   0.202   0.567  0.00  0.00    +0.122 A 
ATOM      4  C   LIG    1        1.113   1.339  -0.217  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1        2.260   2.018  -0.682  0.00  0.00    -0.012 A 
ATOM      6  C   LIG    1        2.110   3.189  -1.444  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1        0.846   3.694  -1.743  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -0.290   3.025  -1.298  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -0.172   1.843  -0.554  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1        3.538   1.521  -0.374  0.00  0.00    +0.056 A 
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1       -1.397   1.179  -0.158  0.00  0.00    +0.094 A 
ATOM     12  C   LIG    1       -1.845  -0.044  -0.608  0.00  0.00    +0.064 A 
ATOM     13  C   LIG    1       -1.347  -1.068  -1.542  0.00  0.00    +0.163 C 
ATOM     14  N   LIG    1       -1.708  -2.380  -1.020  0.00  0.00    -0.297 N 
ATOM     15  C   LIG    1       -2.969  -2.630  -0.480  0.00  0.00    +0.238 C 
ATOM     16  C   LIG    1       -3.848  -1.421  -0.139  0.00  0.00    +0.171 C 
ATOM     17  C   LIG    1       -4.903  -1.240  -1.225  0.00  0.00    +0.041 C 
ATOM     18  O   LIG    1       -3.399  -3.772  -0.301  0.00  0.00    -0.273 OA
ATOM     19  C   LIG    1       -0.897  -3.503  -1.455  0.00  0.00    +0.132 C 
ATOM     20  N   LIG    1       -3.043  -0.226   0.030  0.00  0.00    -0.318 N 
ATOM     21  C   LIG    1       -3.279   0.861   0.821  0.00  0.00    +0.114 A 
ATOM     22  N   LIG    1       -2.306   1.740   0.706  0.00  0.00    -0.232 NA
BRANCH  21  23
ATOM     23  C   LIG    1       -4.508   1.065   1.750  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1       -4.939   2.467   2.096  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1       -5.775   1.636   1.169  0.00  0.00    +0.012 C 
ENDBRANCH  21  23
ENDBRANCH   9  11
BRANCH   1  29
ATOM     26  C   LIG    1        6.939  -2.680   2.267  0.00  0.00    +0.067 C 
ATOM     27  C   LIG    1        6.420  -1.506   1.525  0.00  0.00    +0.060 A 
ATOM     28  N   LIG    1        5.104  -1.309   1.422  0.00  0.00    -0.170 NA
ATOM     29  N   LIG    1        4.963  -0.163   0.700  0.00  0.00    -0.222 N 
ATOM     30  C   LIG    1        6.200   0.345   0.348  0.00  0.00    +0.116 A 
ATOM     31  C   LIG    1        7.151  -0.499   0.868  0.00  0.00    +0.044 A 
ENDBRANCH   1  29
TORSDOF 3