REMARK  Name = BDB045288
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.648   2.361   0.677  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -3.026   0.927   0.433  0.00  0.00    -0.024 A 
ATOM      3  C   LIG    1       -2.033  -0.044   0.209  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1       -2.429  -1.368  -0.012  0.00  0.00    +0.065 A 
ATOM      5  C   LIG    1       -1.372  -2.364  -0.248  0.00  0.00    +0.259 A 
ATOM      6  N   LIG    1       -0.085  -1.892  -0.196  0.00  0.00    -0.306 N 
ATOM      7  H   LIG    1        0.621  -2.579  -0.410  0.00  0.00    +0.170 HD
ATOM      8  C   LIG    1        0.227  -0.571   0.024  0.00  0.00    +0.141 A 
ATOM      9  O   LIG    1       -1.617  -3.541  -0.485  0.00  0.00    -0.267 OA
ATOM     10  C   LIG    1       -3.775  -1.743  -0.016  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1       -4.752  -0.777   0.207  0.00  0.00    +0.001 A 
ATOM     12  N   LIG    1       -0.677   0.336   0.211  0.00  0.00    -0.229 NA
ATOM     13  C   LIG    1       -4.380   0.550   0.431  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   8  14
ATOM     14  C   LIG    1        1.671  -0.207   0.022  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1        2.032   1.095  -0.356  0.00  0.00    +0.014 A 
ATOM     16  C   LIG    1        3.375   1.485  -0.369  0.00  0.00    +0.033 A 
ATOM     17  C   LIG    1        4.362   0.566   0.008  0.00  0.00    +0.126 A 
ATOM     18  C   LIG    1        4.011  -0.734   0.401  0.00  0.00    +0.033 A 
ATOM     19  C   LIG    1        2.664  -1.117   0.410  0.00  0.00    +0.014 A 
BRANCH  17  20
ATOM     20  N   LIG    1        5.775   0.968  -0.001  0.00  0.00    +0.056 N 
ATOM     21  O   LIG    1        6.615   0.122   0.338  0.00  0.00    -0.126 OA
ATOM     22  O   LIG    1        6.042   2.126  -0.349  0.00  0.00    -0.126 OA
ENDBRANCH  17  20
ENDBRANCH   8  14
TORSDOF 2