REMARK  Name = BDB005546
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.727  -0.036   1.348  0.00  0.00    -0.329 N 
ATOM      2  C   LIG    1       -0.434  -0.759   0.167  0.00  0.00    +0.047 A 
ATOM      3  C   LIG    1        0.766  -0.443  -0.656  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1        0.848  -0.952  -1.960  0.00  0.00    +0.051 A 
ATOM      5  N   LIG    1       -0.113  -1.861  -2.408  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1       -0.033  -2.284  -3.321  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1       -1.084  -2.377  -1.599  0.00  0.00    +0.254 A 
ATOM      8  O   LIG    1       -1.824  -3.275  -1.992  0.00  0.00    -0.268 OA
ATOM      9  C   LIG    1        1.919  -0.638  -2.798  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        2.964   0.143  -2.311  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1        2.960   0.580  -0.986  0.00  0.00    +0.121 A 
ATOM     12  C   LIG    1        1.873   0.268  -0.163  0.00  0.00    +0.057 A 
ATOM     13  C   LIG    1       -1.227  -1.771  -0.248  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1       -2.315  -2.317   0.628  0.00  0.00    +0.044 C 
ATOM     15  C   LIG    1       -1.970  -2.071   2.093  0.00  0.00    +0.024 C 
ATOM     16  C   LIG    1       -1.695  -0.593   2.327  0.00  0.00    +0.105 C 
ENDROOT
BRANCH  11  17
ATOM     17  O   LIG    1        4.070   1.288  -0.617  0.00  0.00    -0.495 OA
ATOM     18  C   LIG    1        4.121   1.754   0.726  0.00  0.00    +0.277 C 
ENDBRANCH  11  17
BRANCH   1  19
ATOM     19  C   LIG    1       -0.696   1.451   1.389  0.00  0.00    +0.105 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -1.745   2.132  -0.852  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1       -1.872   2.120   0.664  0.00  0.00    +0.015 C 
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 3