REMARK  Name = BDB050527
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.633   4.509   1.897  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.431   3.685   0.917  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.841   2.521   0.438  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.403   2.235   0.629  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -2.099   0.812   0.327  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1       -0.886   0.089   0.427  0.00  0.00    +0.152 A 
ATOM      7  N   LIG    1       -1.044  -1.160  -0.026  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.340  -1.254  -0.386  0.00  0.00    -0.261 N 
ATOM      9  C   LIG    1       -3.009  -0.082  -0.199  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -4.426   0.257  -0.487  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.544   1.787  -0.635  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -5.561   4.046   0.588  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        0.266   0.633   0.905  0.00  0.00    -0.283 N 
ATOM     14  C   LIG    1        1.591   0.261   0.528  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1        2.537   0.555   1.512  0.00  0.00    -0.024 A 
ATOM     16  C   LIG    1        3.891   0.311   1.329  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1        4.317  -0.256   0.119  0.00  0.00    -0.015 A 
ATOM     18  C   LIG    1        3.361  -0.555  -0.873  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        1.854   1.176   2.678  0.00  0.00    +0.056 C 
ATOM     20  C   LIG    1        1.999  -0.292  -0.674  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1        0.392   0.814   2.369  0.00  0.00    +0.117 C 
BRANCH  17  22
ATOM     22  C   LIG    1        5.729  -0.530  -0.095  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        6.367  -0.531  -1.319  0.00  0.00    +0.116 A 
ATOM     24  N   LIG    1        7.678  -0.817  -1.069  0.00  0.00    -0.274 N 
ATOM     25  C   LIG    1        8.742  -0.927  -2.037  0.00  0.00    +0.172 C 
ATOM     26  N   LIG    1        7.949  -1.000   0.235  0.00  0.00    -0.179 NA
ATOM     27  C   LIG    1        6.763  -0.826   0.825  0.00  0.00    +0.142 A 
ENDBRANCH  17  22
ENDBRANCH   6  13
BRANCH   8  28
ATOM     28  C   LIG    1       -2.794  -2.514  -0.928  0.00  0.00    +0.135 C 
ATOM     29  C   LIG    1       -3.161  -2.466  -2.405  0.00  0.00    +0.186 C 
ATOM     30  O   LIG    1       -4.300  -3.327  -2.592  0.00  0.00    -0.378 OA
ATOM     31  C   LIG    1       -4.529  -4.030  -1.366  0.00  0.00    +0.162 C 
ATOM     32  C   LIG    1       -4.014  -3.127  -0.270  0.00  0.00    +0.057 C 
ENDBRANCH   8  28
TORSDOF 3