REMARK  Name = BDB044072
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.364  -3.551   0.634  0.00  0.00    +0.064 C 
ATOM      2  C   LIG    1       -0.647  -2.265   0.424  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1       -1.094  -0.964   0.294  0.00  0.00    +0.029 A 
ATOM      4  C   LIG    1        0.050  -0.124   0.108  0.00  0.00    +0.017 A 
ATOM      5  C   LIG    1        1.174  -0.943   0.130  0.00  0.00    +0.055 A 
ATOM      6  N   LIG    1        0.721  -2.234   0.304  0.00  0.00    -0.357 N 
ATOM      7  H   LIG    1        1.323  -3.046   0.320  0.00  0.00    +0.166 HD
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -2.464  -0.548   0.369  0.00  0.00    +0.082 A 
ATOM      9  N   LIG    1       -3.400  -0.977  -0.586  0.00  0.00    -0.176 N 
ATOM     10  C   LIG    1       -4.742  -0.569  -0.529  0.00  0.00    +0.274 A 
ATOM     11  N   LIG    1       -5.380  -1.122  -1.539  0.00  0.00    -0.087 NA
ATOM     12  N   LIG    1       -4.458  -1.860  -2.229  0.00  0.00    -0.021 NA
ATOM     13  N   LIG    1       -5.205   0.266   0.450  0.00  0.00    -0.218 NA
ATOM     14  C   LIG    1       -4.323   0.658   1.315  0.00  0.00    +0.117 A 
ATOM     15  N   LIG    1       -3.261  -1.780  -1.672  0.00  0.00    -0.037 NA
ATOM     16  C   LIG    1       -2.888   0.282   1.343  0.00  0.00    +0.048 A 
ENDBRANCH   3   8
BRANCH   4  17
ATOM     17  C   LIG    1        0.095   1.319  -0.076  0.00  0.00    -0.015 A 
ATOM     18  C   LIG    1       -0.566   1.907  -1.162  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1       -0.547   3.292  -1.331  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        0.131   4.097  -0.416  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        0.793   3.519   0.666  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        0.775   2.133   0.838  0.00  0.00    +0.008 A 
ENDBRANCH   4  17
BRANCH   5  23
ATOM     23  C   LIG    1        2.602  -0.662  -0.035  0.00  0.00    -0.001 A 
ATOM     24  C   LIG    1        3.062   0.074  -1.133  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1        4.425   0.335  -1.291  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        5.340  -0.137  -0.352  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        4.894  -0.870   0.746  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        3.530  -1.132   0.904  0.00  0.00    +0.010 A 
ENDBRANCH   5  23
TORSDOF 3