REMARK  Name = BDB036887
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.931   0.038  -0.805  0.00  0.00    -0.178 NA
ATOM      2  H   LIG    1        1.439   0.471  -1.574  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.457  -0.018   0.561  0.00  0.00    +0.163 C 
ATOM      4  C   LIG    1        1.975   1.370   0.930  0.00  0.00    +0.238 C 
ATOM      5  O   LIG    1        1.228   2.298   1.238  0.00  0.00    -0.274 OA
ATOM      6  N   LIG    1        3.327   1.583   0.808  0.00  0.00    -0.255 N 
ATOM      7  H   LIG    1        3.646   2.520   1.014  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1        4.268   0.738   0.279  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1        5.416   1.123   0.076  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1        3.801  -0.642  -0.109  0.00  0.00    +0.098 C 
ATOM     11  C   LIG    1        2.570  -1.055   0.683  0.00  0.00    +0.039 C 
ENDBRANCH   1   3
BRANCH   1  12
ATOM     12  S   LIG    1       -0.408  -0.863  -1.235  0.00  0.00    +0.059 S 
ATOM     13  O   LIG    1       -0.531  -0.726  -2.668  0.00  0.00    -0.153 OA
ATOM     14  O   LIG    1       -0.244  -2.149  -0.595  0.00  0.00    -0.153 OA
BRANCH  12  17
ATOM     15  C   LIG    1       -3.143  -2.184  -0.316  0.00  0.00    +0.046 C 
ATOM     16  C   LIG    1       -2.954  -0.707  -0.110  0.00  0.00    -0.024 A 
ATOM     17  C   LIG    1       -1.791  -0.013  -0.499  0.00  0.00    +0.108 A 
ATOM     18  C   LIG    1       -1.694   1.373  -0.305  0.00  0.00    +0.029 A 
ATOM     19  C   LIG    1       -2.734   2.071   0.307  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -3.875   1.393   0.722  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -3.984   0.017   0.515  0.00  0.00    +0.005 A 
ENDBRANCH  12  17
ENDBRANCH   1  12
TORSDOF 3