REMARK  Name = BDB048267
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.476  -3.090   0.741  0.00  0.00    -0.246 OA
ATOM      2  C   LIG    1       -1.191  -2.143   0.442  0.00  0.00    +0.334 A 
ATOM      3  N   LIG    1       -0.817  -0.807   0.171  0.00  0.00    -0.227 N 
ATOM      4  C   LIG    1       -1.972  -0.054  -0.130  0.00  0.00    +0.119 A 
ATOM      5  C   LIG    1       -3.055  -0.945  -0.041  0.00  0.00    +0.071 A 
ATOM      6  C   LIG    1       -4.367  -0.585  -0.267  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1       -4.608   0.745  -0.604  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1       -3.544   1.662  -0.702  0.00  0.00    +0.047 A 
ATOM      9  C   LIG    1       -2.219   1.265  -0.465  0.00  0.00    +0.143 A 
ATOM     10  N   LIG    1       -2.583  -2.206   0.305  0.00  0.00    -0.305 N 
ATOM     11  H   LIG    1       -3.124  -3.044   0.442  0.00  0.00    +0.170 HD
ENDROOT
BRANCH   3  12
ATOM     12  C   LIG    1        0.490  -0.380   0.214  0.00  0.00    +0.218 A 
ATOM     13  N   LIG    1        1.509  -1.257   0.529  0.00  0.00    -0.323 N 
ATOM     14  H   LIG    1        1.364  -2.236   0.742  0.00  0.00    +0.169 HD
ATOM     15  C   LIG    1        2.703  -0.591   0.504  0.00  0.00    +0.068 A 
ATOM     16  C   LIG    1        2.350   0.707   0.163  0.00  0.00    +0.091 A 
ATOM     17  C   LIG    1        3.353   1.680   0.044  0.00  0.00    +0.030 A 
ATOM     18  C   LIG    1        4.683   1.305   0.277  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        5.006  -0.011   0.619  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        4.018  -0.995   0.741  0.00  0.00    +0.028 A 
ATOM     21  N   LIG    1        0.994   0.816  -0.011  0.00  0.00    -0.212 NA
ENDBRANCH   3  12
BRANCH   9  22
ATOM     22  O   LIG    1       -1.227   2.185  -0.572  0.00  0.00    -0.505 OA
ATOM     23  H   LIG    1       -1.585   3.051  -0.813  0.00  0.00    +0.292 HD
ENDBRANCH   9  22
TORSDOF 2