REMARK  Name = BDB061300
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.690   1.980  -1.049  0.00  0.00    -0.311 N 
ATOM      2  H   LIG    1       -1.263   2.493  -1.706  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1       -1.325   1.397   0.032  0.00  0.00    +0.246 C 
ATOM      4  O   LIG    1       -0.821   0.528   0.736  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -2.716   1.869   0.301  0.00  0.00    +0.059 A 
ATOM      6  C   LIG    1       -3.724   0.936   0.685  0.00  0.00    +0.061 A 
ATOM      7  N   LIG    1       -3.405  -0.421   0.615  0.00  0.00    -0.339 N 
ATOM      8  H   LIG    1       -2.422  -0.605   0.857  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1       -4.332  -1.510   0.843  0.00  0.00    +0.076 C 
ATOM     10  C   LIG    1       -5.008  -1.348   2.185  0.00  0.00    +0.118 C 
ATOM     11  C   LIG    1       -6.224  -0.496   2.002  0.00  0.00    +0.219 C 
ATOM     12  N   LIG    1       -6.126   0.732   1.427  0.00  0.00    -0.284 N 
ATOM     13  H   LIG    1       -7.012   1.221   1.468  0.00  0.00    +0.155 HD
ATOM     14  O   LIG    1       -7.327  -0.870   2.408  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1       -3.554  -2.826   0.782  0.00  0.00    +0.028 C 
ATOM     16  C   LIG    1       -5.011   1.455   0.951  0.00  0.00    +0.055 A 
ATOM     17  C   LIG    1       -5.262   2.834   0.782  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1       -4.257   3.723   0.410  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1       -2.977   3.244   0.186  0.00  0.00    +0.015 A 
ENDBRANCH   3   5
BRANCH   1  20
ATOM     20  C   LIG    1        0.601   1.504  -1.516  0.00  0.00    +0.106 C 
BRANCH  20  21
ATOM     21  C   LIG    1        1.739   1.887  -0.576  0.00  0.00    +0.037 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.127   1.755  -1.209  0.00  0.00    +0.106 C 
BRANCH  22  26
ATOM     23  C   LIG    1        4.168  -1.535   1.454  0.00  0.00    +0.122 A 
ATOM     24  C   LIG    1        3.866  -0.476   0.589  0.00  0.00    +0.069 A 
ATOM     25  C   LIG    1        3.777  -0.645  -0.806  0.00  0.00    +0.036 A 
ATOM     26  N   LIG    1        3.457   0.403  -1.672  0.00  0.00    -0.330 N 
ATOM     27  C   LIG    1        3.219   0.097  -3.085  0.00  0.00    +0.105 C 
ATOM     28  C   LIG    1        4.205  -0.940  -3.592  0.00  0.00    +0.024 C 
ATOM     29  C   LIG    1        4.026  -2.217  -2.791  0.00  0.00    +0.038 C 
ATOM     30  C   LIG    1        4.063  -1.935  -1.311  0.00  0.00    -0.026 A 
ATOM     31  C   LIG    1        4.369  -2.999  -0.446  0.00  0.00    +0.009 A 
ATOM     32  C   LIG    1        4.423  -2.796   0.928  0.00  0.00    +0.046 A 
BRANCH  23  34
ATOM     33  C   LIG    1        3.755  -0.272   3.423  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1        4.256  -1.458   2.819  0.00  0.00    -0.495 OA
ENDBRANCH  23  34
ENDBRANCH  22  26
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 6