REMARK  Name = BDB003230
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.594   2.713  -0.484  0.00  0.00    -0.286 OA
ATOM      2  C   LIG    1       -2.878   1.738  -0.284  0.00  0.00    +0.207 C 
ATOM      3  C   LIG    1       -3.494   0.419  -0.072  0.00  0.00    +0.034 A 
ATOM      4  C   LIG    1       -2.701  -0.710   0.091  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1       -3.305  -1.962   0.286  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -4.695  -2.075   0.319  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -5.489  -0.942   0.155  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -1.232  -0.612   0.052  0.00  0.00    +0.209 C 
ATOM      9  O   LIG    1       -0.561  -1.639   0.113  0.00  0.00    -0.285 OA
ATOM     10  C   LIG    1       -0.593   0.752  -0.076  0.00  0.00    +0.100 C 
ATOM     11  C   LIG    1       -4.892   0.303  -0.042  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -1.395   1.821  -0.241  0.00  0.00    +0.113 C 
ATOM     13 CL   LIG    1       -0.741   3.427  -0.375  0.00  0.00    -0.078 Cl
ENDROOT
BRANCH  10  14
ATOM     14  N   LIG    1        0.819   0.805  -0.037  0.00  0.00    -0.326 N 
ATOM     15  C   LIG    1        1.559   0.221   1.098  0.00  0.00    +0.106 C 
ATOM     16  C   LIG    1        2.572  -0.815   0.623  0.00  0.00    +0.033 C 
ATOM     17  C   LIG    1        3.602  -0.197  -0.330  0.00  0.00    +0.101 C 
ATOM     18  C   LIG    1        3.057   1.042  -1.057  0.00  0.00    +0.033 C 
ATOM     19  C   LIG    1        1.560   0.912  -1.307  0.00  0.00    +0.106 C 
BRANCH  17  20
ATOM     20  C   LIG    1        4.870   0.133   0.436  0.00  0.00    +0.308 C 
ATOM     21  O   LIG    1        5.157   1.231   0.882  0.00  0.00    -0.251 OA
BRANCH  20  22
ATOM     22  O   LIG    1        5.670  -0.945   0.617  0.00  0.00    -0.480 OA
ATOM     23  H   LIG    1        5.325  -1.773   0.233  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  17  20
ENDBRANCH  10  14
TORSDOF 3