REMARK  Name = BDB055914
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.004   0.256  -0.737  0.00  0.00    +0.110 A 
ATOM      2  N   LIG    1        0.256  -1.020  -1.164  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -0.463  -1.572  -1.611  0.00  0.00    +0.170 HD
ATOM      4  C   LIG    1        1.476  -1.632  -1.027  0.00  0.00    +0.259 A 
ATOM      5  O   LIG    1        1.679  -2.774  -1.421  0.00  0.00    -0.267 OA
ATOM      6  C   LIG    1        2.521  -0.824  -0.378  0.00  0.00    +0.065 A 
ATOM      7  C   LIG    1        2.174   0.467   0.031  0.00  0.00    +0.078 A 
ATOM      8  C   LIG    1        3.147   1.254   0.650  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1        4.439   0.758   0.855  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        4.769  -0.534   0.441  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        3.809  -1.332  -0.178  0.00  0.00    +0.015 A 
ATOM     12  N   LIG    1        0.887   1.000  -0.157  0.00  0.00    -0.234 NA
ENDROOT
BRANCH   1  13
ATOM     13  C   LIG    1       -1.402   0.760  -0.958  0.00  0.00    +0.074 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -2.357   0.159   0.072  0.00  0.00    +0.007 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -4.733   0.094   0.909  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -3.778   0.689  -0.114  0.00  0.00    -0.003 C 
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 3