REMARK  Name = BDB025346
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.389   0.730  -2.262  0.00  0.00    +0.256 C 
ATOM      2  N   LIG    1        1.278   0.358  -1.228  0.00  0.00    -0.185 N 
ATOM      3  C   LIG    1        2.569   0.867  -0.997  0.00  0.00    +0.127 A 
ATOM      4  C   LIG    1        3.027   0.265   0.151  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1        4.313   0.376   0.885  0.00  0.00    +0.121 C 
ATOM      6  N   LIG    1        4.167  -0.169   2.250  0.00  0.00    -0.311 NA
ATOM      7  H   LIG    1        5.094  -0.239   2.667  0.00  0.00    +0.122 HD
ATOM      8  C   LIG    1        3.527  -1.499   2.253  0.00  0.00    +0.087 C 
ATOM      9  C   LIG    1        2.070  -1.459   1.746  0.00  0.00    +0.073 C 
ATOM     10  C   LIG    1        1.993  -0.611   0.530  0.00  0.00    +0.071 A 
ATOM     11  N   LIG    1        0.954  -0.594  -0.301  0.00  0.00    -0.167 NA
ATOM     12  O   LIG    1        0.740   1.585  -3.079  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  20
ATOM     13  C   LIG    1       -2.960   1.235   0.622  0.00  0.00    +0.016 A 
ATOM     14  N   LIG    1       -3.315  -0.089   0.501  0.00  0.00    -0.361 N 
ATOM     15  H   LIG    1       -3.963  -0.579   1.105  0.00  0.00    +0.165 HD
ATOM     16  C   LIG    1       -2.650  -0.636  -0.559  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -2.767  -2.048  -1.010  0.00  0.00    +0.053 C 
ATOM     18  C   LIG    1       -2.250  -2.168  -2.455  0.00  0.00    +0.007 C 
ATOM     19  C   LIG    1       -0.897  -1.454  -2.655  0.00  0.00    +0.018 C 
ATOM     20  C   LIG    1       -0.967   0.055  -2.308  0.00  0.00    +0.111 C 
ATOM     21  C   LIG    1       -1.836   0.329  -1.114  0.00  0.00    -0.014 A 
ATOM     22  C   LIG    1       -2.050   1.521  -0.379  0.00  0.00    +0.027 A 
BRANCH  13  24
ATOM     23  C   LIG    1       -2.691   2.043   2.963  0.00  0.00    +0.010 C 
ATOM     24  C   LIG    1       -3.525   2.106   1.693  0.00  0.00    +0.050 C 
ENDBRANCH  13  24
ENDBRANCH   1  20
BRANCH   3  25
ATOM     25  N   LIG    1        3.171   1.774  -1.806  0.00  0.00    -0.343 N 
ATOM     26  H   LIG    1        3.922   2.363  -1.457  0.00  0.00    +0.144 HD
ATOM     27  H   LIG    1        2.605   2.236  -2.527  0.00  0.00    +0.144 HD
ENDBRANCH   3  25
TORSDOF 3