REMARK  Name = BDB032626
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.904  -1.634   0.802  0.00  0.00    +0.173 A 
ATOM      2  O   LIG    1       -0.469  -2.890   0.497  0.00  0.00    -0.353 OA
ATOM      3  N   LIG    1        0.839  -3.046   0.928  0.00  0.00    -0.061 NA
ATOM      4  C   LIG    1        1.182  -1.876   1.468  0.00  0.00    +0.181 A 
ATOM      5  C   LIG    1        0.115  -0.959   1.431  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1       -3.333  -2.174   0.384  0.00  0.00    +0.131 A 
ATOM      7  C   LIG    1       -2.252  -1.269   0.375  0.00  0.00    +0.062 A 
ATOM      8  C   LIG    1       -2.472   0.054  -0.061  0.00  0.00    +0.025 A 
ATOM      9  C   LIG    1       -3.729   0.486  -0.501  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -4.787  -0.427  -0.488  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1       -4.592  -1.742  -0.050  0.00  0.00    +0.047 A 
BRANCH   9  12
ATOM     12  C   LIG    1       -3.917   1.864  -0.951  0.00  0.00    +0.066 A 
ATOM     13  N   LIG    1       -4.791   2.235  -1.943  0.00  0.00    -0.277 N 
ATOM     14  H   LIG    1       -5.399   1.635  -2.490  0.00  0.00    +0.189 HD
ATOM     15  N   LIG    1       -4.801   3.553  -2.205  0.00  0.00    -0.182 NA
ATOM     16  C   LIG    1       -3.895   4.045  -1.361  0.00  0.00    +0.135 A 
ATOM     17  C   LIG    1       -3.308   3.044  -0.566  0.00  0.00    +0.049 A 
ENDBRANCH   9  12
BRANCH   6  19
ATOM     18  C   LIG    1       -4.123  -4.399   0.782  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -3.082  -3.435   0.860  0.00  0.00    -0.494 OA
ENDBRANCH   6  19
ENDBRANCH   1   7
BRANCH   4  20
ATOM     20  N   LIG    1        2.462  -1.696   1.968  0.00  0.00    -0.197 N 
ATOM     21  H   LIG    1        3.113  -2.463   1.817  0.00  0.00    +0.175 HD
BRANCH  20  22
ATOM     22  S   LIG    1        3.197  -0.198   2.091  0.00  0.00    +0.081 S 
ATOM     23  O   LIG    1        4.582  -0.423   2.458  0.00  0.00    -0.150 OA
ATOM     24  O   LIG    1        2.365   0.639   2.931  0.00  0.00    -0.150 OA
BRANCH  22  25
ATOM     25  C   LIG    1        3.186   0.394   0.417  0.00  0.00    +0.191 A 
ATOM     26  C   LIG    1        3.914  -0.319  -0.547  0.00  0.00    +0.150 A 
ATOM     27  C   LIG    1        3.912   0.097  -1.883  0.00  0.00    +0.048 A 
ATOM     28  C   LIG    1        3.209   1.240  -2.258  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1        2.498   1.960  -1.301  0.00  0.00    +0.048 A 
ATOM     30  C   LIG    1        2.496   1.549   0.037  0.00  0.00    +0.150 A 
BRANCH  26  31
ATOM     31  O   LIG    1        4.546  -1.489  -0.211  0.00  0.00    -0.493 OA
ATOM     32  C   LIG    1        5.960  -1.403  -0.402  0.00  0.00    +0.277 C 
ENDBRANCH  26  31
BRANCH  30  33
ATOM     33  O   LIG    1        1.714   2.265   0.901  0.00  0.00    -0.493 OA
ATOM     34  C   LIG    1        2.421   3.407   1.392  0.00  0.00    +0.277 C 
ENDBRANCH  30  33
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   4  20
TORSDOF 8