REMARK  Name = BDB029400
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.346   0.223  -0.132  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1       -0.650  -0.767  -0.031  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1       -1.975  -0.381  -0.116  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1       -3.224  -1.209  -0.043  0.00  0.00    +0.133 C 
ATOM      5  C   LIG    1       -4.321  -0.151  -0.211  0.00  0.00    +0.222 C 
ATOM      6  N   LIG    1       -3.696   1.082  -0.353  0.00  0.00    -0.285 N 
ATOM      7  H   LIG    1       -4.208   1.941  -0.480  0.00  0.00    +0.155 HD
ATOM      8  O   LIG    1       -5.525  -0.345  -0.220  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1       -2.318   0.956  -0.299  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1       -1.376   1.954  -0.406  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1       -0.032   1.576  -0.322  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1        2.476  -0.150   1.171  0.00  0.00    +0.124 A 
ATOM     13  C   LIG    1        1.765  -0.142  -0.045  0.00  0.00    +0.022 A 
ATOM     14  C   LIG    1        2.464  -0.502  -1.206  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        3.807  -0.849  -1.132  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        4.414  -0.824   0.109  0.00  0.00    +0.113 A 
ATOM     17  N   LIG    1        3.778  -0.484   1.250  0.00  0.00    -0.240 NA
BRANCH  12  18
ATOM     18  N   LIG    1        1.850   0.194   2.381  0.00  0.00    -0.343 N 
ATOM     19  H   LIG    1        1.065  -0.431   2.534  0.00  0.00    +0.144 HD
ATOM     20  H   LIG    1        1.474   1.134   2.301  0.00  0.00    +0.144 HD
ENDBRANCH  12  18
ENDBRANCH   1  13
TORSDOF 2