REMARK  Name = BDB005556
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.809  -0.614   0.157  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -0.504  -0.575   0.645  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1       -1.585  -0.234  -0.183  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1       -1.316   0.036  -1.532  0.00  0.00    +0.051 A 
ATOM      5  N   LIG    1       -2.367   0.327  -2.405  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1       -2.189   0.510  -3.383  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1       -3.679   0.346  -2.031  0.00  0.00    +0.254 A 
ATOM      8  C   LIG    1       -3.975   0.081  -0.598  0.00  0.00    +0.038 A 
ATOM      9  C   LIG    1       -5.422   0.128  -0.184  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1       -5.660  -0.480   1.203  0.00  0.00    +0.023 C 
ATOM     11  C   LIG    1       -4.584  -0.027   2.183  0.00  0.00    +0.102 C 
ATOM     12  N   LIG    1       -3.269  -0.350   1.641  0.00  0.00    -0.343 N 
ATOM     13  H   LIG    1       -2.507  -0.073   2.254  0.00  0.00    +0.146 HD
ATOM     14  O   LIG    1       -4.567   0.589  -2.844  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1       -0.012   0.005  -2.030  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1       -2.990  -0.167   0.289  0.00  0.00    +0.045 A 
ATOM     17  C   LIG    1        1.051  -0.315  -1.182  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  18
ATOM     18  O   LIG    1        1.746  -0.950   1.094  0.00  0.00    -0.491 OA
BRANCH  18  19
ATOM     19  C   LIG    1        3.110  -1.104   0.685  0.00  0.00    +0.244 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.849   0.244   0.737  0.00  0.00    +0.124 C 
BRANCH  20  22
ATOM     21  C   LIG    1        5.548  -0.159  -0.960  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1        5.293   0.147   0.449  0.00  0.00    -0.305 NA
ATOM     23  C   LIG    1        5.959   1.403   0.808  0.00  0.00    +0.104 C 
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 4