REMARK  Name = BDB053419
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.931  -1.304   1.440  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        0.083  -0.702   0.815  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        0.217   0.352  -0.233  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        1.341   0.885  -0.728  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1       -1.045   0.710  -0.673  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -1.861  -0.021   0.024  0.00  0.00    +0.187 C 
ATOM      7  N   LIG    1       -1.264  -0.846   0.910  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -1.700  -1.530   1.500  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        2.717   0.570  -0.337  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1        3.605   0.090  -1.310  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1        4.906  -0.168  -0.930  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1        5.891  -0.639  -1.740  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1        6.992  -0.718  -0.810  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1        6.654  -0.273   0.519  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1        5.341   0.041   0.357  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1        4.501   0.522   1.337  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        3.175   0.793   0.980  0.00  0.00    +0.012 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -3.209   0.028  -0.125  0.00  0.00    -0.316 N 
ATOM     19  H   LIG    1       -3.478   0.787  -0.743  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -4.155  -0.231   0.936  0.00  0.00    +0.107 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -5.583  -0.201   0.469  0.00  0.00    +0.006 C 
ATOM     22  C   LIG    1       -6.135   0.901  -0.406  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -5.993  -0.494  -0.955  0.00  0.00    +0.005 C 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4