REMARK  Name = BDB005569
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -6.604  -2.797   0.305  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -5.683  -1.985   0.300  0.00  0.00    +0.254 A 
ATOM      3  C   LIG    1       -5.816  -0.649  -0.341  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -7.138  -0.338  -0.992  0.00  0.00    +0.044 C 
ATOM      5  C   LIG    1       -7.298   1.150  -1.320  0.00  0.00    +0.023 C 
ATOM      6  C   LIG    1       -6.016   1.714  -1.919  0.00  0.00    +0.102 C 
ATOM      7  N   LIG    1       -4.903   1.450  -1.014  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1       -4.016   1.807  -1.358  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1       -4.792   0.228  -0.355  0.00  0.00    +0.045 A 
ATOM     10  C   LIG    1       -3.525  -0.120   0.333  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1       -3.404  -1.388   0.916  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1       -2.229  -1.779   1.561  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1       -1.152  -0.894   1.646  0.00  0.00    +0.048 A 
ATOM     14  C   LIG    1       -1.255   0.383   1.099  0.00  0.00    +0.121 A 
ATOM     15  C   LIG    1       -2.439   0.761   0.450  0.00  0.00    +0.057 A 
ATOM     16  N   LIG    1       -4.479  -2.280   0.872  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1       -4.410  -3.192   1.301  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  14  18
ATOM     18  O   LIG    1       -0.291   1.351   1.114  0.00  0.00    -0.492 OA
BRANCH  18  19
ATOM     19  C   LIG    1        0.924   1.112   1.826  0.00  0.00    +0.229 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.960   0.397   0.957  0.00  0.00    +0.042 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.335   1.216  -0.281  0.00  0.00    +0.019 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.306   0.511  -1.238  0.00  0.00    +0.084 C 
BRANCH  22  23
ATOM     23  N   LIG    1        4.603   0.244  -0.603  0.00  0.00    -0.302 NA
ATOM     24  C   LIG    1        5.726   0.702  -1.439  0.00  0.00    +0.084 C 
ATOM     25  C   LIG    1        7.075   0.067  -1.069  0.00  0.00    +0.015 C 
ATOM     26  C   LIG    1        7.119  -0.348   0.394  0.00  0.00    +0.002 C 
ATOM     27  C   LIG    1        5.967  -1.300   0.727  0.00  0.00    +0.015 C 
ATOM     28  C   LIG    1        4.773  -1.160  -0.225  0.00  0.00    +0.084 C 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  14  18
TORSDOF 6