REMARK  Name = BDB028707
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.559  -0.067   1.778  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.686  -0.493   1.244  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.403   0.680   1.109  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.701   0.756   0.620  0.00  0.00    +0.056 A 
ATOM      5  C   LIG    1        3.306  -0.458   0.244  0.00  0.00    -0.005 A 
ATOM      6  C   LIG    1        2.589  -1.669   0.360  0.00  0.00    +0.053 A 
ATOM      7  O   LIG    1        0.640   1.725   1.524  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        1.273  -1.713   0.857  0.00  0.00    +0.135 A 
ATOM      9  N   LIG    1       -0.594   1.258   1.943  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -1.604  -0.931   2.072  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -1.522  -1.896   1.757  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -3.173  -0.446   2.378  0.00  0.00    +0.081 S 
ATOM     13  O   LIG    1       -3.983  -1.649   2.307  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -3.145   0.338   3.595  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -4.203   1.810   1.139  0.00  0.00    +0.150 A 
ATOM     16  C   LIG    1       -3.618   0.550   0.983  0.00  0.00    +0.191 A 
ATOM     17  C   LIG    1       -3.390   0.057  -0.310  0.00  0.00    +0.150 A 
ATOM     18  C   LIG    1       -3.681   0.844  -1.430  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1       -4.257   2.100  -1.268  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -4.535   2.573   0.013  0.00  0.00    +0.048 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -3.718   3.340   2.797  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -4.580   2.286   2.364  0.00  0.00    -0.493 OA
ENDBRANCH  15  22
BRANCH  17  23
ATOM     23  O   LIG    1       -2.823  -1.177  -0.507  0.00  0.00    -0.493 OA
ATOM     24  C   LIG    1       -3.783  -2.100  -1.031  0.00  0.00    +0.277 C 
ENDBRANCH  17  23
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   8  25
ATOM     25  O   LIG    1        0.512  -2.843   0.994  0.00  0.00    -0.494 OA
ATOM     26  C   LIG    1        1.089  -4.073   0.572  0.00  0.00    +0.277 C 
ENDBRANCH   8  25
BRANCH   5  27
ATOM     27  C   LIG    1        4.728  -0.466  -0.310  0.00  0.00    +0.212 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.813   0.071  -1.740  0.00  0.00    +0.162 A 
ATOM     29  N   LIG    1        4.932  -0.835  -2.739  0.00  0.00    -0.237 NA
ATOM     30  C   LIG    1        4.988  -0.345  -3.992  0.00  0.00    +0.114 A 
ATOM     31  C   LIG    1        4.919   0.995  -4.289  0.00  0.00    +0.039 A 
ATOM     32  C   LIG    1        4.783   1.835  -3.211  0.00  0.00    +0.114 A 
ATOM     33  N   LIG    1        4.720   1.407  -1.938  0.00  0.00    -0.237 NA
ENDBRANCH  27  28
BRANCH  27  34
ATOM     34  O   LIG    1        5.618   0.222   0.583  0.00  0.00    -0.379 OA
ATOM     35  H   LIG    1        5.198   0.241   1.458  0.00  0.00    +0.211 HD
ENDBRANCH  27  34
ENDBRANCH   5  27
TORSDOF 9