REMARK  Name = BDB041523
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.240  -0.734   1.677  0.00  0.00    -0.180 N 
ATOM      2  H   LIG    1        0.176  -0.017   2.263  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.592  -1.722   1.107  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1        0.210  -2.838   0.791  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        2.020  -1.298   0.887  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1        2.917  -2.309   0.772  0.00  0.00    -0.208 NA
ATOM      7  C   LIG    1        4.213  -1.983   0.583  0.00  0.00    +0.220 A 
ATOM      8  C   LIG    1        4.679  -0.674   0.519  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1        3.733   0.352   0.633  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        2.387   0.044   0.816  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  O   LIG    1        5.142  -2.994   0.453  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1        4.566  -4.300   0.515  0.00  0.00    +0.279 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1        6.132  -0.352   0.299  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1        6.370   0.078  -1.073  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        6.387   1.399  -1.367  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.647   1.427  -2.677  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        6.791   0.136  -3.224  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        6.612  -0.718  -2.160  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -1.849  -0.925   2.056  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1       -2.000  -0.120   3.256  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.268  -2.306   2.044  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -2.442  -0.271  -0.578  0.00  0.00    +0.147 A 
ATOM     23  C   LIG    1       -2.725  -0.075   0.768  0.00  0.00    +0.150 A 
ATOM     24  C   LIG    1       -3.737   0.830   1.143  0.00  0.00    +0.037 A 
ATOM     25  C   LIG    1       -4.481   1.567   0.199  0.00  0.00    -0.035 A 
ATOM     26  C   LIG    1       -4.136   1.366  -1.151  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1       -3.134   0.468  -1.538  0.00  0.00    +0.048 A 
BRANCH  25  28
ATOM     28  C   LIG    1       -5.627   2.596   0.631  0.00  0.00    +0.040 C 
ATOM     29  C   LIG    1       -6.968   2.564  -0.148  0.00  0.00    +0.173 C 
ATOM     30  O   LIG    1       -7.725   2.607   1.086  0.00  0.00    -0.378 OA
ATOM     31  C   LIG    1       -6.536   2.232   1.832  0.00  0.00    +0.173 C 
ATOM     32  C   LIG    1       -5.043   4.010   0.741  0.00  0.00    +0.021 C 
ENDBRANCH  25  28
BRANCH  22  34
ATOM     33  C   LIG    1       -1.987  -2.348  -1.462  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1       -1.447  -1.101  -1.004  0.00  0.00    -0.493 OA
ENDBRANCH  22  34
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 8