REMARK  Name = BDB058118
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.155   0.993   0.085  0.00  0.00    +0.032 A 
ATOM      2  C   LIG    1        1.247   1.788  -0.302  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1        2.562   1.345  -0.135  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1        2.793   0.086   0.417  0.00  0.00    +0.105 A 
ATOM      5  C   LIG    1        1.726  -0.717   0.823  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1        0.414  -0.262   0.651  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   4   7
ATOM      7  S   LIG    1        4.455  -0.487   0.648  0.00  0.00    +0.056 S 
ATOM      8  O   LIG    1        4.464  -1.449   1.723  0.00  0.00    -0.153 OA
ATOM      9  O   LIG    1        5.342   0.653   0.614  0.00  0.00    -0.153 OA
BRANCH   7  10
ATOM     10  N   LIG    1        4.726  -1.316  -0.793  0.00  0.00    -0.204 NA
ATOM     11  H   LIG    1        5.475  -0.849  -1.306  0.00  0.00    +0.144 HD
ATOM     12  H   LIG    1        3.887  -1.427  -1.360  0.00  0.00    +0.144 HD
ENDBRANCH   7  10
ENDBRANCH   4   7
BRANCH   1  13
ATOM     13  N   LIG    1       -1.140   1.498  -0.132  0.00  0.00    -0.299 N 
ATOM     14  H   LIG    1       -1.250   2.445   0.225  0.00  0.00    +0.154 HD
BRANCH  13  19
ATOM     15  C   LIG    1       -3.896  -0.888  -0.513  0.00  0.00    +0.121 A 
ATOM     16  N   LIG    1       -4.906  -0.176  -0.010  0.00  0.00    -0.221 NA
ATOM     17  C   LIG    1       -4.607   1.055   0.417  0.00  0.00    +0.225 A 
ATOM     18  N   LIG    1       -3.397   1.629   0.393  0.00  0.00    -0.221 NA
ATOM     19  C   LIG    1       -2.395   0.880  -0.093  0.00  0.00    +0.128 A 
ATOM     20  C   LIG    1       -2.610  -0.394  -0.580  0.00  0.00    +0.087 A 
BRANCH  15  21
ATOM     21  N   LIG    1       -4.187  -2.171  -0.994  0.00  0.00    -0.343 N 
ATOM     22  H   LIG    1       -3.631  -2.864  -0.502  0.00  0.00    +0.144 HD
ATOM     23  H   LIG    1       -3.965  -2.228  -1.983  0.00  0.00    +0.144 HD
ENDBRANCH  15  21
ENDBRANCH  13  19
ENDBRANCH   1  13
TORSDOF 5