REMARK  Name = BDB056409
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.791   0.493   0.471  0.00  0.00    -0.147 NA
ATOM      2  N   LIG    1        0.278  -0.130  -0.485  0.00  0.00    -0.149 NA
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -1.121   0.030  -0.477  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1       -1.762   0.735  -1.510  0.00  0.00    -0.023 A 
ATOM      5  C   LIG    1       -0.960   1.358  -2.620  0.00  0.00    +0.046 C 
ATOM      6  C   LIG    1       -3.161   0.866  -1.498  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1       -3.944   0.300  -0.477  0.00  0.00    -0.023 A 
ATOM      8  C   LIG    1       -5.436   0.476  -0.534  0.00  0.00    +0.046 C 
ATOM      9  C   LIG    1       -3.290  -0.427   0.532  0.00  0.00    +0.122 A 
ATOM     10  C   LIG    1       -1.895  -0.558   0.530  0.00  0.00    +0.059 A 
BRANCH   9  11
ATOM     11  S   LIG    1       -4.187  -1.234   1.838  0.00  0.00    +0.110 S 
ATOM     12  O   LIG    1       -3.332  -2.244   2.426  0.00  0.00    -0.142 OA
ATOM     13  O   LIG    1       -4.820  -0.214   2.643  0.00  0.00    -0.142 OA
BRANCH  11  14
ATOM     14  O   LIG    1       -5.342  -2.078   1.093  0.00  0.00    -0.250 OA
ATOM     15  H   LIG    1       -5.248  -3.011   1.379  0.00  0.00    +0.245 HD
ENDBRANCH  11  14
ENDBRANCH   9  11
ENDBRANCH   2   3
BRANCH   1  21
ATOM     16  C   LIG    1        4.771  -2.375   1.138  0.00  0.00    +0.047 C 
ATOM     17  C   LIG    1        4.184  -1.038   0.793  0.00  0.00    -0.007 A 
ATOM     18  C   LIG    1        4.975   0.081   0.510  0.00  0.00    +0.122 A 
ATOM     19  C   LIG    1        4.399   1.313   0.198  0.00  0.00    +0.070 A 
ATOM     20  C   LIG    1        3.010   1.455   0.126  0.00  0.00    +0.056 A 
ATOM     21  C   LIG    1        2.195   0.351   0.450  0.00  0.00    +0.107 A 
ATOM     22  C   LIG    1        2.790  -0.880   0.773  0.00  0.00    +0.038 A 
BRANCH  20  23
ATOM     23  N   LIG    1        2.455   2.739  -0.063  0.00  0.00    -0.356 N 
ATOM     24  H   LIG    1        1.479   2.690  -0.346  0.00  0.00    +0.142 HD
ATOM     25  H   LIG    1        3.015   3.345  -0.652  0.00  0.00    +0.142 HD
ENDBRANCH  20  23
BRANCH  18  26
ATOM     26  O   LIG    1        6.341   0.046   0.532  0.00  0.00    -0.506 OA
ATOM     27  H   LIG    1        6.638  -0.829   0.825  0.00  0.00    +0.292 HD
ENDBRANCH  18  26
ENDBRANCH   1  21
TORSDOF 6