REMARK  Name = BDB037178
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.924  -1.258   0.319  0.00  0.00    -0.180 N 
ATOM      2  H   LIG    1       -0.704  -0.274   0.458  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.117  -2.179   0.070  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1        0.013  -3.384   0.250  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.388  -1.569  -0.450  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1        2.519  -2.266  -0.184  0.00  0.00    -0.208 NA
ATOM      7  C   LIG    1        3.692  -1.733  -0.583  0.00  0.00    +0.220 A 
ATOM      8  C   LIG    1        3.812  -0.510  -1.245  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1        2.622   0.168  -1.541  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        1.396  -0.357  -1.133  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  O   LIG    1        4.857  -2.437  -0.344  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1        4.641  -3.667   0.341  0.00  0.00    +0.279 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1        5.183  -0.021  -1.649  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1        5.254   1.411  -1.942  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        5.087   2.320  -0.955  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        5.296   3.492  -1.563  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        5.602   3.342  -2.926  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        5.567   1.984  -3.145  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.370  -1.720   1.028  0.00  0.00    +0.082 S 
ATOM     20  O   LIG    1       -2.080  -2.230   2.351  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -3.074  -2.478   0.017  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -2.554   1.005   1.515  0.00  0.00    +0.150 A 
ATOM     23  C   LIG    1       -3.246  -0.190   1.283  0.00  0.00    +0.191 A 
ATOM     24  C   LIG    1       -4.651  -0.182   1.291  0.00  0.00    +0.153 A 
ATOM     25  C   LIG    1       -5.356   1.014   1.535  0.00  0.00    -0.007 A 
ATOM     26  C   LIG    1       -6.859   1.051   1.622  0.00  0.00    +0.047 C 
ATOM     27  C   LIG    1       -4.640   2.209   1.686  0.00  0.00    +0.010 A 
ATOM     28  C   LIG    1       -3.248   2.205   1.674  0.00  0.00    +0.048 A 
BRANCH  22  30
ATOM     29  C   LIG    1       -0.710   1.224   2.886  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -1.181   1.046   1.540  0.00  0.00    -0.493 OA
ENDBRANCH  22  30
BRANCH  24  31
ATOM     31  O   LIG    1       -5.355  -1.354   1.193  0.00  0.00    -0.493 OA
ATOM     32  C   LIG    1       -5.885  -1.547  -0.122  0.00  0.00    +0.277 C 
ENDBRANCH  24  31
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 8