REMARK  Name = BDB002496
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.434  -3.347  -0.354  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1       -0.042  -2.183  -0.289  0.00  0.00    +0.255 C 
ATOM      3  N   LIG    1       -0.912  -1.166   0.033  0.00  0.00    -0.304 N 
ATOM      4  H   LIG    1       -0.526  -0.248   0.230  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.332  -1.764  -0.529  0.00  0.00    +0.119 A 
ATOM      6  C   LIG    1        1.933  -0.526  -0.419  0.00  0.00    +0.181 A 
ATOM      7  O   LIG    1        1.270   0.592  -0.022  0.00  0.00    -0.484 OA
ATOM      8  C   LIG    1        2.201   1.637   0.316  0.00  0.00    +0.270 C 
ATOM      9  C   LIG    1        3.329   1.751  -0.716  0.00  0.00    +0.270 C 
ATOM     10  O   LIG    1        4.113   0.547  -0.783  0.00  0.00    -0.484 OA
ATOM     11  C   LIG    1        3.306  -0.541  -0.778  0.00  0.00    +0.170 A 
ATOM     12  C   LIG    1        3.757  -1.792  -1.106  0.00  0.00    +0.095 A 
ATOM     13  S   LIG    1        2.492  -2.944  -1.024  0.00  0.00    -0.085 S 
ENDBRANCH   2   5
BRANCH   3  14
ATOM     14  C   LIG    1       -2.256  -1.443   0.473  0.00  0.00    +0.179 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -3.022  -0.175   0.482  0.00  0.00    +0.122 A 
ATOM     16  O   LIG    1       -2.650   0.761   1.405  0.00  0.00    -0.466 OA
ATOM     17  C   LIG    1       -3.471   1.830   1.239  0.00  0.00    +0.195 A 
ATOM     18  C   LIG    1       -4.362   1.599   0.218  0.00  0.00    +0.041 A 
ATOM     19  C   LIG    1       -4.072   0.304  -0.274  0.00  0.00    +0.046 A 
ENDBRANCH  14  15
ENDBRANCH   3  14
TORSDOF 3