REMARK  Name = BDB052289
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.344  -0.253  -0.418  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1        4.038  -0.063   0.085  0.00  0.00    +0.105 A 
ATOM      3  C   LIG    1        3.857   0.308   1.465  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1        2.514   0.426   1.683  0.00  0.00    +0.123 A 
ATOM      5  N   LIG    1        1.915   0.136   0.475  0.00  0.00    -0.239 N 
ATOM      6  C   LIG    1        4.839   0.518   2.426  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        6.128   0.320   1.894  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1        2.829  -0.132  -0.495  0.00  0.00    -0.166 NA
ATOM      9  C   LIG    1        6.376  -0.049   0.536  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1        0.521   0.109   0.179  0.00  0.00    +0.065 A 
ATOM     11  C   LIG    1       -0.439   0.399   1.155  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -1.802   0.364   0.834  0.00  0.00    +0.006 A 
ATOM     13  C   LIG    1       -2.231   0.041  -0.461  0.00  0.00    -0.044 A 
ATOM     14  C   LIG    1       -1.263  -0.248  -1.432  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1        0.099  -0.215  -1.118  0.00  0.00    +0.028 A 
BRANCH  13  16
ATOM     16  C   LIG    1       -3.705  -0.007  -0.829  0.00  0.00    +0.021 C 
ATOM     17  C   LIG    1       -4.482  -1.089  -0.052  0.00  0.00    +0.023 C 
ATOM     18  C   LIG    1       -5.394  -0.494   1.017  0.00  0.00    +0.081 C 
ATOM     19  N   LIG    1       -6.357   0.475   0.495  0.00  0.00    -0.316 NA
ATOM     20  H   LIG    1       -7.234   0.010   0.262  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1       -5.888   1.229  -0.669  0.00  0.00    +0.081 C 
ATOM     22  C   LIG    1       -4.371   1.375  -0.712  0.00  0.00    +0.023 C 
ENDBRANCH  13  16
ENDBRANCH   5  10
BRANCH   1  26
ATOM     23  N   LIG    1        6.730  -0.098  -2.385  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1        7.154   0.740  -2.014  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1        6.830  -0.271  -3.378  0.00  0.00    +0.145 HD
ATOM     26  C   LIG    1        5.617  -0.652  -1.807  0.00  0.00    +0.244 C 
ATOM     27  O   LIG    1        4.917  -1.436  -2.430  0.00  0.00    -0.270 OA
ENDBRANCH   1  26
TORSDOF 3