REMARK  Name = BDB037130
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.682  -1.145  -1.493  0.00  0.00    -0.181 N 
ATOM      2  H   LIG    1       -0.063  -1.046  -2.289  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.434  -0.534  -0.259  0.00  0.00    +0.263 C 
ATOM      4  O   LIG    1       -1.282  -0.411   0.611  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.935   0.019  -0.078  0.00  0.00    +0.042 A 
ATOM      6  C   LIG    1        2.034  -0.442  -0.810  0.00  0.00    +0.059 A 
ATOM      7  C   LIG    1        3.294   0.130  -0.606  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        3.478   1.186   0.298  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1        2.370   1.631   1.037  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        1.112   1.050   0.854  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  O   LIG    1        4.357  -0.293  -1.358  0.00  0.00    -0.495 OA
ATOM     12  C   LIG    1        4.775  -1.606  -0.973  0.00  0.00    +0.277 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1        4.835   1.811   0.512  0.00  0.00    +0.182 C 
BRANCH  13  14
ATOM     14  N   LIG    1        5.528   1.217   1.649  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        6.383   0.187   1.469  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.841  -0.065   2.698  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        6.300   0.805   3.661  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        5.462   1.632   2.952  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.108  -1.916  -1.894  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1       -2.252  -3.027  -0.983  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.024  -2.125  -3.325  0.00  0.00    -0.150 OA
BRANCH  19  26
ATOM     22  C   LIG    1       -5.252   1.359  -1.280  0.00  0.00    +0.159 A 
ATOM     23  C   LIG    1       -4.091   1.579  -2.026  0.00  0.00    +0.167 A 
ATOM     24  F   LIG    1       -3.865   2.777  -2.587  0.00  0.00    -0.202 F 
ATOM     25  C   LIG    1       -3.147   0.575  -2.218  0.00  0.00    +0.074 A 
ATOM     26  C   LIG    1       -3.349  -0.682  -1.635  0.00  0.00    +0.153 A 
ATOM     27  C   LIG    1       -4.499  -0.918  -0.881  0.00  0.00    +0.150 A 
ATOM     28  C   LIG    1       -5.457   0.097  -0.718  0.00  0.00    +0.096 A 
BRANCH  22  30
ATOM     29  C   LIG    1       -7.304   2.230  -0.442  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -6.103   2.425  -1.177  0.00  0.00    -0.492 OA
ENDBRANCH  22  30
BRANCH  27  31
ATOM     31  O   LIG    1       -4.791  -2.153  -0.375  0.00  0.00    -0.493 OA
ATOM     32  C   LIG    1       -4.539  -2.202   1.032  0.00  0.00    +0.277 C 
ENDBRANCH  27  31
ENDBRANCH  19  26
ENDBRANCH   1  19
TORSDOF 8