REMARK  Name = BDB057098
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.558  -1.041  -0.624  0.00  0.00    +0.070 C 
ATOM      2  S   LIG    1       -0.769  -2.093  -1.919  0.00  0.00    -0.038 S 
ENDROOT
BRANCH   1   5
ATOM      3  C   LIG    1       -3.668   0.028  -0.812  0.00  0.00    +0.236 C 
ATOM      4  N   LIG    1       -3.029  -0.926  -0.050  0.00  0.00    -0.289 N 
ATOM      5  C   LIG    1       -1.661  -0.712   0.412  0.00  0.00    +0.130 C 
ATOM      6  C   LIG    1       -1.531  -1.608   1.649  0.00  0.00    +0.062 C 
ATOM      7  C   LIG    1       -2.517  -2.742   1.381  0.00  0.00    +0.134 C 
ATOM      8  C   LIG    1       -3.659  -2.035   0.651  0.00  0.00    +0.139 C 
ATOM      9  O   LIG    1       -3.086   1.056  -1.177  0.00  0.00    -0.274 OA
BRANCH   3  10
ATOM     10  C   LIG    1       -5.110  -0.271  -1.274  0.00  0.00    +0.156 C 
ATOM     11  C   LIG    1       -5.074  -1.114  -2.542  0.00  0.00    +0.038 C 
BRANCH  10  14
ATOM     12  C   LIG    1       -6.864   3.051  -0.844  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1       -6.452   1.640  -0.519  0.00  0.00    +0.211 C 
ATOM     14  N   LIG    1       -5.771   1.006  -1.534  0.00  0.00    -0.304 N 
ATOM     15  H   LIG    1       -5.273   1.615  -2.175  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1       -6.702   1.118   0.563  0.00  0.00    -0.276 OA
ENDBRANCH  10  14
ENDBRANCH   3  10
BRANCH   7  17
ATOM     17  O   LIG    1       -2.925  -3.328   2.606  0.00  0.00    -0.390 OA
ATOM     18  H   LIG    1       -3.540  -4.054   2.399  0.00  0.00    +0.210 HD
ENDBRANCH   7  17
ENDBRANCH   1   5
BRANCH   1  19
ATOM     19  N   LIG    1        0.699  -0.529  -0.437  0.00  0.00    -0.336 N 
ATOM     20  H   LIG    1        1.357  -0.745  -1.180  0.00  0.00    +0.147 HD
BRANCH  19  21
ATOM     21  C   LIG    1        1.060   0.551   0.460  0.00  0.00    +0.137 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.549   0.762   0.471  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        3.134   1.755  -0.325  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        4.521   1.933  -0.330  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        5.348   1.118   0.454  0.00  0.00    -0.010 A 
ATOM     26  C   LIG    1        4.762   0.117   1.238  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1        3.376  -0.062   1.245  0.00  0.00    +0.006 A 
BRANCH  25  28
ATOM     28  C   LIG    1        6.800   1.289   0.444  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1        7.807   0.400   0.093  0.00  0.00    +0.053 A 
ATOM     30  C   LIG    1        7.640  -0.990  -0.409  0.00  0.00    +0.067 C 
ATOM     31  N   LIG    1        9.098   0.892   0.230  0.00  0.00    -0.252 NA
ATOM     32  C   LIG    1        9.055   2.128   0.670  0.00  0.00    +0.156 A 
ATOM     33  S   LIG    1        7.498   2.778   0.949  0.00  0.00    -0.075 S 
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 8