REMARK  Name = BDB062076
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.670  -2.437  -0.238  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -4.178  -1.327  -0.072  0.00  0.00    +0.271 A 
ATOM      3  C   LIG    1       -2.718  -1.115  -0.112  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1       -2.186   0.158   0.081  0.00  0.00    +0.056 A 
ATOM      5  C   LIG    1       -0.796   0.361   0.043  0.00  0.00    +0.059 A 
ATOM      6  C   LIG    1        0.059  -0.716  -0.190  0.00  0.00    +0.122 A 
ATOM      7  C   LIG    1       -0.481  -1.992  -0.383  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -3.081   1.305   0.327  0.00  0.00    +0.271 A 
ATOM      9  O   LIG    1       -2.638   2.435   0.500  0.00  0.00    -0.266 OA
ATOM     10  N   LIG    1       -4.429   1.046   0.353  0.00  0.00    -0.263 N 
ATOM     11  H   LIG    1       -5.059   1.825   0.522  0.00  0.00    +0.190 HD
ATOM     12  C   LIG    1       -1.863  -2.196  -0.345  0.00  0.00    +0.017 A 
ATOM     13  N   LIG    1       -4.957  -0.221   0.161  0.00  0.00    -0.263 N 
ATOM     14  H   LIG    1       -5.964  -0.350   0.192  0.00  0.00    +0.190 HD
ENDROOT
BRANCH   6  15
ATOM     15  O   LIG    1        1.423  -0.663  -0.252  0.00  0.00    -0.487 OA
BRANCH  15  16
ATOM     16  C   LIG    1        2.042   0.614  -0.063  0.00  0.00    +0.265 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.542   0.531  -0.156  0.00  0.00    -0.003 A 
ATOM     18  C   LIG    1        4.279  -0.616  -0.393  0.00  0.00    +0.052 A 
ATOM     19  S   LIG    1        5.964  -0.333  -0.433  0.00  0.00    -0.105 S 
ATOM     20  C   LIG    1        5.745   1.334  -0.134  0.00  0.00    +0.045 A 
ATOM     21  C   LIG    1        4.414   1.664  -0.007  0.00  0.00    +0.014 A 
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   6  15
TORSDOF 3