REMARK  Name = BDB028223
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.404   0.513   0.100  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -3.262  -0.422   0.268  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -3.454  -1.517   1.104  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -2.423  -2.438   1.313  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -1.192  -2.257   0.680  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -0.972  -1.161  -0.172  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -4.754  -1.698   1.769  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -4.965  -2.649   2.513  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -5.704  -0.742   1.504  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -6.608  -0.849   1.954  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1       -2.025  -0.245  -0.368  0.00  0.00    +0.019 A 
ATOM     12  N   LIG    1       -5.550   0.341   0.696  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.325  -0.972  -0.834  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        1.523  -0.924  -0.108  0.00  0.00    +0.058 A 
ATOM     15  C   LIG    1        2.735  -0.716  -0.765  0.00  0.00    +0.149 A 
ATOM     16  C   LIG    1        2.721  -0.597  -2.148  0.00  0.00    +0.157 A 
ATOM     17  N   LIG    1        1.593  -0.652  -2.895  0.00  0.00    -0.259 NA
ATOM     18  C   LIG    1        0.432  -0.831  -2.221  0.00  0.00    +0.119 A 
BRANCH  15  19
ATOM     19  O   LIG    1        3.879  -0.737  -0.012  0.00  0.00    -0.437 OA
BRANCH  19  20
ATOM     20  C   LIG    1        4.803   0.283  -0.208  0.00  0.00    +0.221 A 
ATOM     21  N   LIG    1        4.421   1.439  -0.796  0.00  0.00    -0.221 NA
ATOM     22  C   LIG    1        5.366   2.396  -0.922  0.00  0.00    +0.114 A 
ATOM     23  C   LIG    1        6.671   2.254  -0.479  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        7.033   1.058   0.134  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1        6.082   0.053   0.278  0.00  0.00    +0.067 A 
ENDBRANCH  19  20
ENDBRANCH  15  19
ENDBRANCH   6  13
BRANCH   1  26
ATOM     26  C   LIG    1       -4.220   1.730  -0.813  0.00  0.00    +0.136 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -5.446   2.536  -0.870  0.00  0.00    -0.325 NA
ATOM     28  H   LIG    1       -5.699   2.780   0.092  0.00  0.00    +0.119 HD
ATOM     29  H   LIG    1       -6.208   1.918  -1.156  0.00  0.00    +0.119 HD
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 5