REMARK  Name = BDB028265
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.713   0.256  -0.875  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -3.519   0.390  -0.003  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -3.354   1.597   0.672  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -2.253   1.797   1.513  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -1.311   0.781   1.675  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -1.462  -0.434   0.997  0.00  0.00    -0.014 A 
ATOM      7  C   LIG    1       -4.352   2.663   0.494  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -4.245   3.740   1.069  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -5.397   2.376  -0.348  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -6.097   3.100  -0.484  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1       -2.572  -0.630   0.161  0.00  0.00    +0.019 A 
ATOM     12  N   LIG    1       -5.588   1.210  -1.023  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1       -0.491  -1.495   1.159  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        0.863  -1.388   0.907  0.00  0.00    +0.064 A 
ATOM     15  C   LIG    1        1.751  -0.280   0.448  0.00  0.00    +0.160 C 
ATOM     16  N   LIG    1        3.144  -0.701   0.169  0.00  0.00    -0.322 N 
ATOM     17  C   LIG    1        3.652  -1.751   1.072  0.00  0.00    +0.129 C 
ATOM     18  C   LIG    1        2.772  -2.994   0.981  0.00  0.00    +0.162 C 
ATOM     19  N   LIG    1        1.381  -2.628   1.156  0.00  0.00    -0.265 N 
ATOM     20  N   LIG    1        0.471  -3.535   1.550  0.00  0.00    -0.179 NA
ATOM     21  C   LIG    1       -0.672  -2.845   1.542  0.00  0.00    +0.143 A 
BRANCH  16  22
ATOM     22  C   LIG    1        3.994   0.375  -0.143  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1        3.707   1.188  -1.254  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1        4.522   2.269  -1.606  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        5.653   2.560  -0.853  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        5.969   1.766   0.244  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        5.150   0.684   0.590  0.00  0.00    +0.023 A 
ENDBRANCH  16  22
ENDBRANCH   6  13
BRANCH   1  28
ATOM     28  C   LIG    1       -4.919  -1.061  -1.631  0.00  0.00    +0.136 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -6.147  -1.021  -2.434  0.00  0.00    -0.325 NA
ATOM     30  H   LIG    1       -6.089  -0.203  -3.046  0.00  0.00    +0.119 HD
ATOM     31  H   LIG    1       -6.919  -0.783  -1.807  0.00  0.00    +0.119 HD
ENDBRANCH  28  29
ENDBRANCH   1  28
TORSDOF 4