REMARK  Name = BDB037191
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.675   0.615   1.212  0.00  0.00    -0.180 N 
ATOM      2  H   LIG    1       -1.230   1.525   1.153  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.954  -0.573   1.001  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1       -1.490  -1.627   0.696  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.534  -0.456   1.163  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1        1.267  -1.369   0.480  0.00  0.00    -0.208 NA
ATOM      7  C   LIG    1        2.612  -1.277   0.555  0.00  0.00    +0.220 A 
ATOM      8  C   LIG    1        3.284  -0.301   1.287  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1        2.499   0.607   2.013  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        1.109   0.538   1.947  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  O   LIG    1        3.377  -2.219  -0.103  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1        2.610  -3.145  -0.867  0.00  0.00    +0.279 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1        4.791  -0.261   1.334  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1        5.323   1.087   1.142  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        5.152   1.728  -0.034  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        5.761   2.901   0.152  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        6.328   3.014   1.435  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        6.036   1.821   2.052  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -3.337   0.735   1.106  0.00  0.00    +0.082 S 
ATOM     20  O   LIG    1       -3.599   2.160   1.048  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -3.870  -0.069   2.183  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -4.689  -0.938  -0.636  0.00  0.00    +0.150 A 
ATOM     23  C   LIG    1       -3.738   0.075  -0.486  0.00  0.00    +0.192 A 
ATOM     24  C   LIG    1       -3.099   0.598  -1.624  0.00  0.00    +0.160 A 
ATOM     25  C   LIG    1       -3.366   0.056  -2.887  0.00  0.00    +0.048 A 
ATOM     26  C   LIG    1       -4.317  -0.953  -3.029  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1       -4.991  -1.433  -1.910  0.00  0.00    +0.048 A 
BRANCH  22  29
ATOM     28  C   LIG    1       -4.998  -2.714   0.801  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1       -5.426  -1.405   0.417  0.00  0.00    -0.493 OA
ENDBRANCH  22  29
BRANCH  24  30
ATOM     30  O   LIG    1       -2.161   1.588  -1.482  0.00  0.00    -0.404 OA
BRANCH  30  31
ATOM     31  C   LIG    1       -2.446   2.758  -2.249  0.00  0.00    +0.575 C 
ATOM     32  F   LIG    1       -1.744   3.788  -1.726  0.00  0.00    -0.133 F 
ATOM     33  F   LIG    1       -3.756   3.073  -2.221  0.00  0.00    -0.133 F 
ATOM     34  F   LIG    1       -2.050   2.589  -3.529  0.00  0.00    -0.133 F 
ENDBRANCH  30  31
ENDBRANCH  24  30
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 9