REMARK  Name = BDB048264
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.758   1.659  -2.614  0.00  0.00    -0.246 OA
ATOM      2  C   LIG    1       -1.404   1.084  -1.749  0.00  0.00    +0.334 A 
ATOM      3  N   LIG    1       -0.924   0.376  -0.627  0.00  0.00    -0.230 N 
ATOM      4  C   LIG    1       -2.008  -0.126   0.104  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1       -3.170   0.272  -0.567  0.00  0.00    +0.067 A 
ATOM      6  C   LIG    1       -4.433  -0.050  -0.123  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1       -4.515  -0.807   1.049  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -3.351  -1.213   1.734  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -2.077  -0.872   1.261  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -2.807   1.007  -1.693  0.00  0.00    -0.306 N 
ATOM     11  H   LIG    1       -3.424   1.425  -2.370  0.00  0.00    +0.170 HD
ENDROOT
BRANCH   3  12
ATOM     12  C   LIG    1        0.400   0.214  -0.315  0.00  0.00    +0.218 A 
ATOM     13  N   LIG    1        1.392   0.751  -1.105  0.00  0.00    -0.323 N 
ATOM     14  H   LIG    1        1.220   1.287  -1.946  0.00  0.00    +0.169 HD
ATOM     15  C   LIG    1        2.607   0.437  -0.561  0.00  0.00    +0.068 A 
ATOM     16  C   LIG    1        2.288  -0.301   0.572  0.00  0.00    +0.091 A 
ATOM     17  C   LIG    1        3.321  -0.792   1.383  0.00  0.00    +0.030 A 
ATOM     18  C   LIG    1        4.646  -0.520   1.019  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        4.936   0.226  -0.127  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        3.917   0.724  -0.948  0.00  0.00    +0.028 A 
ATOM     21  N   LIG    1        0.927  -0.428   0.708  0.00  0.00    -0.212 NA
ENDBRANCH   3  12
TORSDOF 1