REMARK  Name = BDB000433
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.541  -1.682   0.132  0.00  0.00    +0.130 A 
ATOM      2  C   LIG    1       -0.865  -0.670  -0.599  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1       -1.441   0.613  -0.649  0.00  0.00    +0.138 A 
ATOM      4  C   LIG    1       -2.644   0.838   0.002  0.00  0.00    +0.107 A 
ATOM      5  C   LIG    1       -3.442   2.062   0.090  0.00  0.00    +0.343 C 
ATOM      6  O   LIG    1       -4.531   1.763   0.865  0.00  0.00    -0.456 OA
ATOM      7  C   LIG    1       -4.509   0.403   1.330  0.00  0.00    +0.269 C 
ATOM      8  O   LIG    1       -3.220   3.147  -0.407  0.00  0.00    -0.245 OA
ATOM      9  C   LIG    1       -3.272  -0.150   0.739  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -2.727  -1.425   0.851  0.00  0.00    -0.001 A 
ATOM     11  C   LIG    1       -3.409  -2.480   1.673  0.00  0.00    +0.048 C 
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1       -1.544  -3.790  -0.799  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1       -0.981  -2.936   0.201  0.00  0.00    -0.494 OA
ENDBRANCH   1  13
BRANCH   3  14
ATOM     14  O   LIG    1       -0.855   1.641  -1.325  0.00  0.00    -0.506 OA
ATOM     15  H   LIG    1        0.107   1.506  -1.350  0.00  0.00    +0.292 HD
ENDBRANCH   3  14
BRANCH   2  16
ATOM     16  C   LIG    1        0.450  -0.964  -1.295  0.00  0.00    +0.069 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.631  -0.445  -0.517  0.00  0.00    -0.023 C 
ATOM     18  C   LIG    1        2.609   0.389  -0.929  0.00  0.00    -0.076 C 
ATOM     19  C   LIG    1        2.740   0.952  -2.320  0.00  0.00    +0.039 C 
BRANCH  18  20
ATOM     20  C   LIG    1        3.716   0.790   0.032  0.00  0.00    +0.041 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.593   2.242   0.492  0.00  0.00    +0.125 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.671   2.588   1.481  0.00  0.00    +0.305 C 
ATOM     23  O   LIG    1        5.581   1.877   1.868  0.00  0.00    -0.251 OA
BRANCH  22  24
ATOM     24  O   LIG    1        4.546   3.850   1.938  0.00  0.00    -0.481 OA
ATOM     25  H   LIG    1        5.293   3.956   2.564  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 8