REMARK  Name = BDB028353
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.012  -0.919   1.957  0.00  0.00    +0.077 A 
ATOM      2  N   LIG    1       -1.719  -1.154   3.118  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1       -3.024  -0.641   3.470  0.00  0.00    +0.173 C 
ATOM      4  N   LIG    1       -1.087  -1.970   3.983  0.00  0.00    -0.179 NA
ATOM      5  C   LIG    1        0.034  -2.305   3.342  0.00  0.00    +0.143 A 
ATOM      6  C   LIG    1        0.147  -1.673   2.086  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   6   7
ATOM      7  C   LIG    1        1.197  -1.773   1.094  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        1.877  -0.626   0.658  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        2.883  -0.728  -0.310  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        3.195  -1.974  -0.848  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1        4.229  -2.067  -1.891  0.00  0.00    +0.272 A 
ATOM     12  N   LIG    1        4.808  -0.883  -2.276  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1        5.522  -0.929  -2.997  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1        4.544   0.346  -1.756  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1        4.545  -3.143  -2.386  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1        2.528  -3.124  -0.413  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1        3.647   0.440  -0.817  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1        1.533  -3.023   0.561  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1        3.392   1.829  -0.238  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1        2.172   2.382  -0.831  0.00  0.00    -0.325 NA
ATOM     21  H   LIG    1        2.083   3.357  -0.547  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1        2.296   2.407  -1.846  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6   7
BRANCH   1  26
ATOM     23  C   LIG    1       -2.354   1.647  -1.205  0.00  0.00    -0.046 A 
ATOM     24  C   LIG    1       -2.367   0.256  -1.383  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1       -1.936  -0.605  -0.361  0.00  0.00    +0.061 A 
ATOM     26  C   LIG    1       -1.492  -0.072   0.862  0.00  0.00    +0.018 A 
ATOM     27  C   LIG    1       -1.485   1.320   1.037  0.00  0.00    +0.011 A 
ATOM     28  C   LIG    1       -1.915   2.170   0.015  0.00  0.00    +0.004 A 
BRANCH  23  30
ATOM     29  C   LIG    1       -4.320   2.835  -2.211  0.00  0.00    +0.009 C 
ATOM     30  C   LIG    1       -2.826   2.563  -2.305  0.00  0.00    +0.032 C 
ENDBRANCH  23  30
BRANCH  25  31
ATOM     31  C   LIG    1       -1.979  -2.020  -0.599  0.00  0.00    +0.100 C 
ATOM     32  N   LIG    1       -2.031  -3.161  -0.811  0.00  0.00    -0.191 NA
ENDBRANCH  25  31
ENDBRANCH   1  26
TORSDOF 6