REMARK  Name = BDB028352
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.237   2.421   1.103  0.00  0.00    +0.077 A 
ATOM      2  N   LIG    1        0.485   3.635   1.709  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1        1.407   3.906   2.789  0.00  0.00    +0.173 C 
ATOM      4  N   LIG    1       -0.226   4.655   1.192  0.00  0.00    -0.179 NA
ATOM      5  C   LIG    1       -0.916   4.090   0.201  0.00  0.00    +0.143 A 
ATOM      6  C   LIG    1       -0.683   2.702   0.100  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   6   7
ATOM      7  C   LIG    1       -1.224   1.741  -0.844  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1       -1.801   0.543  -0.397  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -2.292  -0.392  -1.317  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -2.240  -0.108  -2.678  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -2.798  -1.078  -3.635  0.00  0.00    +0.272 A 
ATOM     12  N   LIG    1       -3.348  -2.214  -3.093  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1       -3.739  -2.893  -3.739  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1       -3.384  -2.538  -1.772  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1       -2.776  -0.871  -4.843  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1       -1.677   1.088  -3.134  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1       -2.879  -1.696  -0.917  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1       -1.166   2.008  -2.217  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1       -2.905  -2.100   0.555  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -4.006  -1.408   1.226  0.00  0.00    -0.325 NA
ATOM     21  H   LIG    1       -4.105  -1.783   2.169  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1       -4.876  -1.655   0.747  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6   7
BRANCH   1  25
ATOM     23  C   LIG    1        2.410  -0.705   1.077  0.00  0.00    -0.029 A 
ATOM     24  C   LIG    1        1.852   0.531   0.676  0.00  0.00    +0.064 A 
ATOM     25  C   LIG    1        0.886   1.163   1.490  0.00  0.00    +0.018 A 
ATOM     26  C   LIG    1        0.492   0.558   2.693  0.00  0.00    +0.011 A 
ATOM     27  C   LIG    1        1.042  -0.658   3.088  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        1.990  -1.287   2.285  0.00  0.00    +0.005 A 
BRANCH  24  29
ATOM     29  C   LIG    1        2.273   1.147  -0.555  0.00  0.00    +0.100 C 
ATOM     30  N   LIG    1        2.632   1.625  -1.550  0.00  0.00    -0.191 NA
ENDBRANCH  24  29
BRANCH  23  31
ATOM     31  C   LIG    1        3.423  -1.451   0.232  0.00  0.00    +0.036 C 
BRANCH  31  33
ATOM     32  C   LIG    1        3.765  -3.075  -1.664  0.00  0.00    +0.004 C 
ATOM     33  C   LIG    1        2.744  -2.331  -0.820  0.00  0.00    +0.001 C 
ENDBRANCH  31  33
ENDBRANCH  23  31
ENDBRANCH   1  25
TORSDOF 7