REMARK  Name = BDB057736
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.303   0.316   0.046  0.00  0.00    +0.100 A 
ATOM      2  C   LIG    1       -1.568   1.323   1.137  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1       -2.546   2.298   0.880  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1       -2.848   3.269   1.837  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1       -2.182   3.263   3.062  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.224   2.285   3.332  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.226   2.231  -0.391  0.00  0.00    +0.186 A 
ATOM      8  N   LIG    1       -2.897   1.229  -1.269  0.00  0.00    -0.196 N 
ATOM      9  C   LIG    1       -3.710   1.420  -2.358  0.00  0.00    +0.152 A 
ATOM     10  N   LIG    1       -4.481   2.471  -2.148  0.00  0.00    -0.132 NA
ATOM     11  C   LIG    1       -3.680   0.551  -3.551  0.00  0.00    +0.090 C 
ATOM     12  N   LIG    1       -4.175   2.983  -0.905  0.00  0.00    -0.127 NA
ATOM     13  C   LIG    1       -0.918   1.311   2.376  0.00  0.00    +0.011 A 
ATOM     14  N   LIG    1       -1.949   0.262  -1.089  0.00  0.00    -0.163 NA
ENDROOT
BRANCH   1  20
ATOM     15  C   LIG    1        2.096  -1.290   0.449  0.00  0.00    +0.109 A 
ATOM     16  C   LIG    1        1.756  -2.656   0.540  0.00  0.00    -0.024 A 
ATOM     17  C   LIG    1        2.769  -3.750   0.737  0.00  0.00    +0.046 C 
ATOM     18  C   LIG    1        0.397  -3.014   0.468  0.00  0.00    +0.006 A 
ATOM     19  C   LIG    1       -0.596  -2.046   0.307  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1       -0.240  -0.701   0.238  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        1.099  -0.314   0.294  0.00  0.00    +0.039 A 
BRANCH  15  22
ATOM     22  S   LIG    1        3.784  -0.722   0.552  0.00  0.00    +0.058 S 
ATOM     23  O   LIG    1        3.786   0.725   0.555  0.00  0.00    -0.153 OA
ATOM     24  O   LIG    1        4.449  -1.472   1.594  0.00  0.00    -0.153 OA
BRANCH  22  26
ATOM     25  C   LIG    1        4.210  -0.419  -2.096  0.00  0.00    +0.127 C 
ATOM     26  N   LIG    1        4.429  -1.234  -0.908  0.00  0.00    -0.193 NA
ATOM     27  H   LIG    1        5.323  -1.712  -0.803  0.00  0.00    +0.148 HD
ENDBRANCH  22  26
ENDBRANCH  15  22
ENDBRANCH   1  20
TORSDOF 3