REMARK  Name = BDB037180
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.348  -0.974   2.107  0.00  0.00    -0.180 N 
ATOM      2  H   LIG    1       -0.079  -0.285   2.707  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.092  -1.246   0.798  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1        0.603  -1.838  -0.015  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.475  -0.752   0.438  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1       -1.917  -1.166  -0.774  0.00  0.00    -0.208 NA
ATOM      7  C   LIG    1       -3.142  -0.771  -1.175  0.00  0.00    +0.220 A 
ATOM      8  C   LIG    1       -3.985   0.050  -0.422  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1       -3.517   0.443   0.833  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -2.247   0.051   1.264  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  O   LIG    1       -3.626  -1.232  -2.386  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1       -2.689  -2.031  -3.111  0.00  0.00    +0.279 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1       -5.364   0.392  -0.930  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1       -5.860   1.673  -0.440  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1       -6.723   1.703   0.598  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1       -6.994   3.001   0.747  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1       -6.304   3.804  -0.181  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1       -5.580   2.914  -0.942  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1        1.853  -1.399   2.690  0.00  0.00    +0.082 S 
ATOM     20  O   LIG    1        1.889  -2.844   2.702  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1        2.003  -0.652   3.925  0.00  0.00    -0.150 OA
BRANCH  19  25
ATOM     22  C   LIG    1        4.774   0.399  -0.350  0.00  0.00    +0.127 A 
ATOM     23  C   LIG    1        3.737   1.164   0.185  0.00  0.00    +0.093 A 
ATOM     24  C   LIG    1        2.870   0.622   1.143  0.00  0.00    +0.154 A 
ATOM     25  C   LIG    1        2.999  -0.718   1.531  0.00  0.00    +0.191 A 
ATOM     26  C   LIG    1        4.042  -1.481   1.000  0.00  0.00    +0.154 A 
ATOM     27  C   LIG    1        4.938  -0.916   0.077  0.00  0.00    +0.093 A 
BRANCH  22  29
ATOM     28  C   LIG    1        6.572   0.286  -1.902  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1        5.556   1.053  -1.263  0.00  0.00    -0.495 OA
ENDBRANCH  22  29
BRANCH  24  30
ATOM     30  O   LIG    1        1.856   1.400   1.648  0.00  0.00    -0.493 OA
ATOM     31  C   LIG    1        2.377   2.478   2.432  0.00  0.00    +0.277 C 
ENDBRANCH  24  30
BRANCH  26  32
ATOM     32  O   LIG    1        4.288  -2.756   1.433  0.00  0.00    -0.493 OA
ATOM     33  C   LIG    1        3.909  -3.716   0.445  0.00  0.00    +0.277 C 
ENDBRANCH  26  32
ENDBRANCH  19  25
ENDBRANCH   1  19
TORSDOF 9