REMARK  Name = BDB028612
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.529  -0.112   2.193  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1       -0.833   0.050   1.800  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1       -1.314   0.961   2.729  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1       -2.607   1.477   2.757  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1       -3.486   1.021   1.769  0.00  0.00    -0.019 A 
ATOM      6  C   LIG    1       -3.044   0.070   0.829  0.00  0.00    +0.052 A 
ATOM      7  O   LIG    1       -0.340   1.273   3.619  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1       -1.726  -0.434   0.818  0.00  0.00    +0.135 A 
ATOM      9  N   LIG    1        0.808   0.581   3.305  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1        1.570  -0.860   1.643  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1        2.425  -0.754   2.190  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1        1.864  -0.837  -0.018  0.00  0.00    +0.081 S 
ATOM     13  O   LIG    1        1.337   0.390  -0.578  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1        1.485  -2.149  -0.502  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1        4.222  -1.188  -1.376  0.00  0.00    +0.150 A 
ATOM     16  C   LIG    1        3.632  -0.725  -0.191  0.00  0.00    +0.191 A 
ATOM     17  C   LIG    1        4.451  -0.197   0.812  0.00  0.00    +0.150 A 
ATOM     18  C   LIG    1        5.843  -0.191   0.660  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1        6.422  -0.654  -0.518  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1        5.611  -1.135  -1.543  0.00  0.00    +0.048 A 
BRANCH  15  22
ATOM     21  C   LIG    1        3.613  -2.984  -2.706  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1        3.450  -1.591  -2.432  0.00  0.00    -0.493 OA
ENDBRANCH  15  22
BRANCH  17  23
ATOM     23  O   LIG    1        3.937   0.268   1.993  0.00  0.00    -0.493 OA
ATOM     24  C   LIG    1        3.953   1.702   2.020  0.00  0.00    +0.277 C 
ENDBRANCH  17  23
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   5  25
ATOM     25  C   LIG    1       -4.910   1.527   1.726  0.00  0.00    +0.178 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -5.188   2.255   0.494  0.00  0.00    -0.267 N 
ATOM     27  N   LIG    1       -5.896   1.667  -0.494  0.00  0.00    -0.179 NA
ATOM     28  C   LIG    1       -5.958   2.607  -1.440  0.00  0.00    +0.134 A 
ATOM     29  C   LIG    1       -5.309   3.796  -1.059  0.00  0.00    +0.041 A 
ATOM     30  C   LIG    1       -4.825   3.541   0.203  0.00  0.00    +0.108 A 
ENDBRANCH  25  26
ENDBRANCH   5  25
BRANCH   8  31
ATOM     31  O   LIG    1       -1.273  -1.386  -0.050  0.00  0.00    -0.489 OA
BRANCH  31  32
ATOM     32  C   LIG    1       -2.022  -1.695  -1.231  0.00  0.00    +0.167 C 
ATOM     33  C   LIG    1       -1.514  -3.038  -1.755  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1       -1.825  -0.616  -2.293  0.00  0.00    +0.051 C 
ENDBRANCH  31  32
ENDBRANCH   8  31
TORSDOF 9