REMARK  Name = BDB035989
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.328   2.041  -1.002  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        1.524   1.323  -0.790  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.915   1.674   0.488  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        3.064   1.190   1.128  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        3.873   0.274   0.418  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1        3.492  -0.086  -0.877  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1        4.102  -1.067  -1.813  0.00  0.00    +0.080 C 
ATOM      8  C   LIG    1        3.370  -0.681  -3.098  0.00  0.00    +0.234 C 
ATOM      9  O   LIG    1        2.112  -0.054  -2.753  0.00  0.00    -0.491 OA
ATOM     10  O   LIG    1        1.008   2.546   1.002  0.00  0.00    -0.353 OA
ATOM     11  C   LIG    1        2.341   0.428  -1.473  0.00  0.00    +0.138 A 
ATOM     12  N   LIG    1        0.009   2.777   0.068  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -0.413   1.977  -2.174  0.00  0.00    -0.196 N 
ATOM     14  H   LIG    1       -0.158   1.272  -2.863  0.00  0.00    +0.175 HD
BRANCH  13  15
ATOM     15  S   LIG    1       -1.976   2.536  -2.324  0.00  0.00    +0.077 S 
ATOM     16  O   LIG    1       -2.486   2.026  -3.582  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1       -1.991   3.962  -2.065  0.00  0.00    -0.150 OA
BRANCH  15  19
ATOM     18  C   LIG    1       -2.925   0.325  -0.986  0.00  0.00    +0.147 A 
ATOM     19  C   LIG    1       -2.862   1.715  -1.029  0.00  0.00    +0.150 A 
ATOM     20  C   LIG    1       -3.519   2.472  -0.059  0.00  0.00    +0.033 A 
ATOM     21  C   LIG    1       -4.224   1.830   0.965  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -4.290   0.427   1.055  0.00  0.00    -0.041 A 
ATOM     23  C   LIG    1       -3.616  -0.305   0.058  0.00  0.00    +0.051 A 
BRANCH  22  24
ATOM     24  C   LIG    1       -5.029  -0.309   2.159  0.00  0.00    +0.019 C 
ATOM     25  C   LIG    1       -5.052   0.221   3.572  0.00  0.00    +0.009 C 
ATOM     26  C   LIG    1       -6.307   0.237   2.747  0.00  0.00    +0.009 C 
ENDBRANCH  22  24
BRANCH  18  28
ATOM     27  C   LIG    1       -3.144  -1.159  -2.743  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1       -2.244  -0.432  -1.902  0.00  0.00    -0.493 OA
ENDBRANCH  18  28
ENDBRANCH  15  19
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   5  29
ATOM     29  C   LIG    1        5.110  -0.296   1.070  0.00  0.00    +0.179 C 
BRANCH  29  30
ATOM     30  N   LIG    1        4.935  -1.693   1.446  0.00  0.00    -0.267 N 
ATOM     31  N   LIG    1        5.589  -2.662   0.771  0.00  0.00    -0.179 NA
ATOM     32  C   LIG    1        5.223  -3.784   1.396  0.00  0.00    +0.134 A 
ATOM     33  C   LIG    1        4.351  -3.540   2.472  0.00  0.00    +0.041 A 
ATOM     34  C   LIG    1        4.189  -2.175   2.487  0.00  0.00    +0.108 A 
ENDBRANCH  29  30
ENDBRANCH   5  29
TORSDOF 7