REMARK  Name = BDB062611
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.438   2.568  -0.902  0.00  0.00    +0.072 S 
ATOM      2  O   LIG    1        0.097   3.756  -1.655  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1        1.153   2.660   0.352  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1  10
ATOM      4  C   LIG    1       -6.731  -1.572   0.101  0.00  0.00    +0.109 C 
ATOM      5  C   LIG    1       -5.654  -0.785  -0.608  0.00  0.00    +0.217 C 
ATOM      6  N   LIG    1       -4.545  -0.477   0.159  0.00  0.00    -0.271 N 
ATOM      7  C   LIG    1       -3.433   0.274  -0.265  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1       -2.498   0.373   0.768  0.00  0.00    -0.023 A 
ATOM      9  C   LIG    1       -1.308   1.066   0.603  0.00  0.00    +0.034 A 
ATOM     10  C   LIG    1       -1.069   1.665  -0.637  0.00  0.00    +0.109 A 
ATOM     11  C   LIG    1       -2.009   1.583  -1.679  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -2.954  -0.358   1.990  0.00  0.00    +0.056 C 
ATOM     13  C   LIG    1       -3.201   0.875  -1.493  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -4.346  -0.846   1.571  0.00  0.00    +0.118 C 
ATOM     15  O   LIG    1       -5.808  -0.475  -1.789  0.00  0.00    -0.276 OA
ENDBRANCH   1  10
BRANCH   1  16
ATOM     16  N   LIG    1        1.289   1.565  -1.966  0.00  0.00    -0.216 N 
ATOM     17  H   LIG    1        1.769   2.123  -2.672  0.00  0.00    +0.174 HD
BRANCH  16  18
ATOM     18  C   LIG    1        1.998   0.461  -1.417  0.00  0.00    +0.049 A 
ATOM     19  C   LIG    1        3.336   0.611  -1.046  0.00  0.00    +0.036 A 
ATOM     20  C   LIG    1        4.043  -0.457  -0.471  0.00  0.00    +0.019 A 
ATOM     21  C   LIG    1        3.367  -1.670  -0.268  0.00  0.00    +0.011 A 
ATOM     22  C   LIG    1        2.024  -1.815  -0.631  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1        1.338  -0.747  -1.203  0.00  0.00    +0.024 A 
BRANCH  20  24
ATOM     24  C   LIG    1        5.446  -0.314  -0.086  0.00  0.00    +0.135 A 
ATOM     25  O   LIG    1        6.057   0.857  -0.442  0.00  0.00    -0.463 OA
ATOM     26  C   LIG    1        7.339   0.798  -0.002  0.00  0.00    +0.196 A 
ATOM     27  C   LIG    1        7.575  -0.396   0.633  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1        6.355  -1.116   0.579  0.00  0.00    +0.050 A 
ENDBRANCH  20  24
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 4