REMARK  Name = BDB041515
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.150   0.246   1.304  0.00  0.00    +0.281 C 
ATOM      2  N   LIG    1       -0.235  -1.021   1.779  0.00  0.00    -0.180 N 
ATOM      3  H   LIG    1        0.374  -1.825   1.666  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1       -0.650   1.119   1.005  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        3.339   1.606   0.122  0.00  0.00    +0.220 A 
ATOM      6  C   LIG    1        4.322   0.921   0.830  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1        3.899  -0.046   1.750  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        2.539  -0.283   1.935  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1        1.632   0.457   1.183  0.00  0.00    +0.131 A 
ATOM     10  N   LIG    1        2.017   1.397   0.283  0.00  0.00    -0.208 NA
BRANCH   5  12
ATOM     11  C   LIG    1        2.685   3.211  -1.458  0.00  0.00    +0.279 C 
ATOM     12  O   LIG    1        3.760   2.547  -0.796  0.00  0.00    -0.479 OA
ENDBRANCH   5  12
BRANCH   6  13
ATOM     13  C   LIG    1        5.786   1.168   0.598  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1        6.331   0.219  -0.361  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        6.830  -0.962   0.065  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        7.247  -1.552  -1.058  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        7.025  -0.756  -2.197  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        6.434   0.387  -1.714  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  S   LIG    1       -1.825  -1.500   1.964  0.00  0.00    +0.082 S 
ATOM     20  O   LIG    1       -1.769  -2.943   2.119  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.387  -0.680   3.014  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -2.573  -1.176   0.407  0.00  0.00    +0.192 A 
ATOM     23  C   LIG    1       -3.736  -0.436   0.301  0.00  0.00    +0.155 A 
ATOM     24  O   LIG    1       -4.468   0.080   1.337  0.00  0.00    -0.484 OA
ATOM     25  C   LIG    1       -5.424   0.988   0.728  0.00  0.00    +0.109 C 
ATOM     26  C   LIG    1       -5.550   0.620  -0.764  0.00  0.00    +0.086 C 
ATOM     27  C   LIG    1       -6.757   0.814   1.456  0.00  0.00    +0.056 C 
ATOM     28  C   LIG    1       -4.905   2.419   0.923  0.00  0.00    +0.056 C 
ATOM     29  C   LIG    1       -4.300  -0.159  -0.939  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -3.728  -0.619  -2.113  0.00  0.00    +0.011 A 
ATOM     31  C   LIG    1       -2.560  -1.378  -2.024  0.00  0.00    +0.048 A 
ATOM     32  C   LIG    1       -1.996  -1.675  -0.769  0.00  0.00    +0.150 A 
BRANCH  32  33
ATOM     33  O   LIG    1       -0.832  -2.401  -0.719  0.00  0.00    -0.493 OA
ATOM     34  C   LIG    1       -1.057  -3.758  -1.112  0.00  0.00    +0.277 C 
ENDBRANCH  32  33
ENDBRANCH  19  22
ENDBRANCH   2  19
TORSDOF 7