REMARK  Name = BDB000562
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.397   0.181   2.128  0.00  0.00    -0.283 OA
ATOM      2  C   LIG    1        0.670   0.556   0.995  0.00  0.00    +0.233 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1        1.864   0.035   0.276  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1        2.711  -0.848   0.957  0.00  0.00    +0.048 A 
ATOM      5  C   LIG    1        3.838  -1.355   0.300  0.00  0.00    +0.168 A 
ATOM      6  C   LIG    1        4.133  -1.013  -1.019  0.00  0.00    +0.147 A 
ATOM      7  C   LIG    1        3.288  -0.136  -1.695  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1        2.157   0.387  -1.051  0.00  0.00    +0.015 A 
BRANCH   5   9
ATOM      9  N   LIG    1        4.705  -2.256   1.029  0.00  0.00    +0.060 N 
ATOM     10  O   LIG    1        5.841  -1.851   1.309  0.00  0.00    -0.126 OA
ATOM     11  O   LIG    1        4.218  -3.343   1.367  0.00  0.00    -0.126 OA
ENDBRANCH   5   9
BRANCH   6  12
ATOM     12  O   LIG    1        5.216  -1.542  -1.654  0.00  0.00    -0.504 OA
ATOM     13  H   LIG    1        5.321  -1.143  -2.535  0.00  0.00    +0.292 HD
ENDBRANCH   6  12
ENDBRANCH   2   3
BRANCH   2  14
ATOM     14  C   LIG    1       -0.255   1.551   0.331  0.00  0.00    +0.233 C 
ATOM     15  O   LIG    1        0.223   2.589  -0.112  0.00  0.00    -0.283 OA
BRANCH  14  16
ATOM     16  C   LIG    1       -1.709   1.258   0.211  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1       -2.258   0.024   0.572  0.00  0.00    +0.048 A 
ATOM     18  C   LIG    1       -3.637  -0.177   0.416  0.00  0.00    +0.168 A 
ATOM     19  C   LIG    1       -4.472   0.815  -0.101  0.00  0.00    +0.147 A 
ATOM     20  C   LIG    1       -3.923   2.044  -0.457  0.00  0.00    +0.048 A 
ATOM     21  C   LIG    1       -2.548   2.263  -0.301  0.00  0.00    +0.015 A 
BRANCH  18  22
ATOM     22  N   LIG    1       -4.183  -1.466   0.793  0.00  0.00    +0.060 N 
ATOM     23  O   LIG    1       -5.018  -1.491   1.705  0.00  0.00    -0.126 OA
ATOM     24  O   LIG    1       -3.719  -2.454   0.206  0.00  0.00    -0.126 OA
ENDBRANCH  18  22
BRANCH  19  25
ATOM     25  O   LIG    1       -5.802   0.586  -0.288  0.00  0.00    -0.504 OA
ATOM     26  H   LIG    1       -6.251   1.405  -0.559  0.00  0.00    +0.292 HD
ENDBRANCH  19  25
ENDBRANCH  14  16
ENDBRANCH   2  14
TORSDOF 7