REMARK  Name = BDB029425
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -6.398  -0.897  -0.286  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -5.226  -0.585  -0.157  0.00  0.00    +0.222 C 
ATOM      3  N   LIG    1       -4.754   0.584   0.428  0.00  0.00    -0.285 N 
ATOM      4  H   LIG    1       -5.365   1.294   0.803  0.00  0.00    +0.155 HD
ATOM      5  C   LIG    1       -3.370   0.627   0.417  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -2.868  -0.523  -0.181  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -1.503  -0.714  -0.310  0.00  0.00    +0.029 A 
ATOM      8  C   LIG    1       -0.635   0.281   0.172  0.00  0.00    +0.034 A 
ATOM      9  C   LIG    1       -1.169   1.437   0.778  0.00  0.00    +0.025 A 
ATOM     10  C   LIG    1       -2.553   1.620   0.904  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1       -4.007  -1.403  -0.602  0.00  0.00    +0.133 C 
ENDROOT
BRANCH   8  12
ATOM     12  N   LIG    1        0.749   0.043   0.025  0.00  0.00    -0.281 N 
ATOM     13  H   LIG    1        0.993  -0.827  -0.428  0.00  0.00    +0.155 HD
ATOM     14  C   LIG    1        1.786   0.904   0.341  0.00  0.00    +0.250 C 
ATOM     15  O   LIG    1        1.687   2.057   0.741  0.00  0.00    -0.270 OA
BRANCH  14  16
ATOM     16  C   LIG    1        3.148   0.355   0.126  0.00  0.00    +0.055 A 
ATOM     17  C   LIG    1        4.168   1.224  -0.240  0.00  0.00    +0.123 A 
ATOM     18  N   LIG    1        5.447   0.833  -0.470  0.00  0.00    -0.263 NA
ATOM     19  C   LIG    1        5.721  -0.479  -0.303  0.00  0.00    +0.111 A 
ATOM     20  C   LIG    1        4.777  -1.419   0.082  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        3.468  -0.994   0.304  0.00  0.00    +0.016 A 
ENDBRANCH  14  16
ENDBRANCH   8  12
TORSDOF 2