REMARK  Name = BDB049277
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.609  -0.287   0.082  0.00  0.00    +0.008 A 
ATOM      2  C   LIG    1       -1.113  -0.709   1.352  0.00  0.00    +0.075 A 
ATOM      3  N   LIG    1        0.208  -1.135   1.446  0.00  0.00    -0.286 N 
ATOM      4  C   LIG    1        0.385  -1.499   2.764  0.00  0.00    +0.205 A 
ATOM      5  N   LIG    1       -0.694  -1.315   3.495  0.00  0.00    -0.243 NA
ATOM      6  C   LIG    1        1.114  -1.169   0.353  0.00  0.00    +0.105 A 
ATOM      7  C   LIG    1        0.618  -0.780  -0.842  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1       -1.632  -0.832   2.622  0.00  0.00    +0.139 A 
ATOM      9  C   LIG    1       -0.759  -0.329  -0.968  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -5.575   1.175  -0.586  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -4.685   1.903   0.202  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.391   1.424   0.418  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -2.978   0.214  -0.155  0.00  0.00    -0.016 A 
ATOM     14  C   LIG    1       -3.881  -0.512  -0.943  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1       -5.175  -0.032  -1.157  0.00  0.00    +0.001 A 
ENDBRANCH   1  13
BRANCH   6  16
ATOM     16  N   LIG    1        2.425  -1.599   0.571  0.00  0.00    -0.323 N 
ATOM     17  H   LIG    1        2.731  -1.450   1.530  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1        3.552  -1.398  -0.337  0.00  0.00    +0.177 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.138  -0.031  -0.285  0.00  0.00    +0.122 A 
ATOM     20  O   LIG    1        4.888   0.266   0.817  0.00  0.00    -0.466 OA
ATOM     21  C   LIG    1        5.312   1.548   0.673  0.00  0.00    +0.195 A 
ATOM     22  C   LIG    1        4.845   2.081  -0.505  0.00  0.00    +0.041 A 
ATOM     23  C   LIG    1        4.084   1.062  -1.126  0.00  0.00    +0.046 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   6  16
TORSDOF 4