REMARK  Name = BDB056198
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.660   0.364  -0.502  0.00  0.00    +0.020 A 
ATOM      2  N   LIG    1       -0.544   1.649  -0.027  0.00  0.00    -0.326 N 
ATOM      3  H   LIG    1       -1.371   2.218   0.107  0.00  0.00    +0.169 HD
ATOM      4  C   LIG    1        0.641   2.252   0.327  0.00  0.00    +0.257 A 
ATOM      5  O   LIG    1        0.672   3.398   0.762  0.00  0.00    -0.267 OA
ATOM      6  C   LIG    1        1.873   1.442   0.153  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1        1.777   0.142  -0.379  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1        2.960  -0.599  -0.587  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1        4.181  -0.064  -0.142  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1        4.260   1.223   0.394  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1        3.106   1.986   0.529  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1        0.437  -0.387  -0.689  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   8  13
ATOM     13  N   LIG    1        2.949  -1.935  -1.036  0.00  0.00    -0.357 N 
ATOM     14  H   LIG    1        3.848  -2.249  -1.389  0.00  0.00    +0.142 HD
ATOM     15  H   LIG    1        2.206  -2.137  -1.696  0.00  0.00    +0.142 HD
ENDBRANCH   8  13
BRANCH   1  16
ATOM     16  C   LIG    1       -2.054  -0.130  -0.807  0.00  0.00    +0.056 C 
BRANCH  16  18
ATOM     17  C   LIG    1       -2.378  -1.396   1.384  0.00  0.00    +0.007 C 
ATOM     18  C   LIG    1       -2.940  -0.329   0.441  0.00  0.00    -0.011 C 
ATOM     19  C   LIG    1       -4.359  -0.712   0.013  0.00  0.00    +0.007 C 
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 3