REMARK  Name = BDB027949
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.249   1.752  -0.028  0.00  0.00    +0.032 A 
ATOM      2  C   LIG    1       -1.163   1.661   0.049  0.00  0.00    -0.013 A 
ATOM      3  C   LIG    1       -1.899   2.683   0.689  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -1.267   3.802   1.218  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1        0.110   3.921   1.104  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.853   2.915   0.479  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        0.975   0.745  -0.684  0.00  0.00    -0.333 N 
ATOM      8  H   LIG    1        0.571  -0.159  -0.450  0.00  0.00    +0.147 HD
BRANCH   7  15
ATOM      9  O   LIG    1        3.317  -3.213   0.260  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1        2.983  -2.069  -0.036  0.00  0.00    +0.219 C 
ATOM     11  N   LIG    1        2.942  -1.082   0.913  0.00  0.00    -0.255 N 
ATOM     12  H   LIG    1        3.320  -1.356   1.811  0.00  0.00    +0.158 HD
ATOM     13  C   LIG    1        3.009   0.268   0.659  0.00  0.00    +0.239 C 
ATOM     14  O   LIG    1        3.505   1.037   1.480  0.00  0.00    -0.273 OA
ATOM     15  C   LIG    1        2.447   0.723  -0.692  0.00  0.00    +0.158 C 
ATOM     16  C   LIG    1        2.937  -0.250  -1.768  0.00  0.00    +0.041 C 
ATOM     17  C   LIG    1        2.572  -1.690  -1.439  0.00  0.00    +0.098 C 
ENDBRANCH   7  15
ENDBRANCH   1   7
BRANCH   2  18
ATOM     18  C   LIG    1       -1.958   0.512  -0.555  0.00  0.00    +0.121 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -2.674  -0.293   0.455  0.00  0.00    -0.298 NA
ATOM     20  C   LIG    1       -1.775  -1.094   1.296  0.00  0.00    +0.085 C 
ATOM     21  C   LIG    1       -1.499  -2.373   0.518  0.00  0.00    +0.017 C 
ATOM     22  C   LIG    1       -2.659  -2.500  -0.459  0.00  0.00    +0.017 C 
ATOM     23  C   LIG    1       -3.543  -1.292  -0.183  0.00  0.00    +0.085 C 
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 4