REMARK  Name = BDB047908
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.761   0.748  -0.314  0.00  0.00    +0.146 A 
ATOM      2  C   LIG    1       -1.681  -0.153  -0.406  0.00  0.00    +0.120 A 
ATOM      3  C   LIG    1       -1.931  -1.408  -0.965  0.00  0.00    +0.065 A 
ATOM      4  C   LIG    1       -0.826  -2.244  -1.025  0.00  0.00    +0.224 A 
ATOM      5  N   LIG    1        0.408  -1.952  -0.606  0.00  0.00    -0.193 NA
ATOM      6  C   LIG    1        0.550  -0.724  -0.082  0.00  0.00    +0.164 A 
ATOM      7  C   LIG    1       -3.217  -1.764  -1.423  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -4.268  -0.862  -1.324  0.00  0.00    +0.004 A 
ATOM      9  N   LIG    1       -0.446   0.175   0.029  0.00  0.00    -0.223 NA
ATOM     10  C   LIG    1       -4.041   0.394  -0.769  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        1.888  -0.328   0.404  0.00  0.00    +0.019 A 
ATOM     12  C   LIG    1        2.117   0.934   0.982  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1        3.385   1.313   1.442  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1        4.478   0.461   1.302  0.00  0.00    +0.025 A 
ATOM     15  C   LIG    1        4.260  -0.816   0.788  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1        2.991  -1.197   0.328  0.00  0.00    +0.013 A 
BRANCH  14  17
ATOM     17  N   LIG    1        5.714   0.795   1.866  0.00  0.00    -0.358 N 
ATOM     18  H   LIG    1        6.498   0.297   1.458  0.00  0.00    +0.142 HD
ATOM     19  H   LIG    1        5.879   1.795   1.924  0.00  0.00    +0.142 HD
ENDBRANCH  14  17
ENDBRANCH   6  11
BRANCH   1  21
ATOM     20  C   LIG    1       -3.512   2.917   0.380  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -2.461   1.972   0.245  0.00  0.00    -0.493 OA
ENDBRANCH   1  21
BRANCH   4  22
ATOM     22  O   LIG    1       -0.920  -3.499  -1.546  0.00  0.00    -0.492 OA
ATOM     23  H   LIG    1       -0.001  -3.802  -1.437  0.00  0.00    +0.294 HD
ENDBRANCH   4  22
TORSDOF 4