REMARK  Name = BDB032678
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.558   1.660  -0.206  0.00  0.00    +0.079 S 
ATOM      2  O   LIG    1       -1.023   3.033  -0.163  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1        0.400   1.235  -1.203  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   6
ATOM      4  C   LIG    1       -4.383   0.402  -0.700  0.00  0.00    -0.046 A 
ATOM      5  C   LIG    1       -3.242   1.206  -0.567  0.00  0.00    +0.036 A 
ATOM      6  C   LIG    1       -1.985   0.619  -0.360  0.00  0.00    +0.150 A 
ATOM      7  C   LIG    1       -1.856  -0.769  -0.303  0.00  0.00    +0.147 A 
ATOM      8  C   LIG    1       -2.995  -1.571  -0.405  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1       -4.249  -0.990  -0.607  0.00  0.00    +0.007 A 
BRANCH   4  11
ATOM     10  C   LIG    1       -6.420   1.345   0.419  0.00  0.00    +0.009 C 
ATOM     11  C   LIG    1       -5.739   1.028  -0.904  0.00  0.00    +0.032 C 
ENDBRANCH   4  11
BRANCH   7  12
ATOM     12  O   LIG    1       -0.641  -1.348  -0.061  0.00  0.00    -0.493 OA
ATOM     13  C   LIG    1       -0.181  -2.082  -1.197  0.00  0.00    +0.277 C 
ENDBRANCH   7  12
ENDBRANCH   1   6
BRANCH   1  14
ATOM     14  N   LIG    1       -0.047   1.324   1.361  0.00  0.00    -0.167 N 
ATOM     15  H   LIG    1       -0.362   2.074   1.975  0.00  0.00    +0.178 HD
BRANCH  14  16
ATOM     16  C   LIG    1        1.391   1.257   1.438  0.00  0.00    +0.328 A 
ATOM     17  O   LIG    1        2.170   0.325   0.819  0.00  0.00    -0.404 OA
ATOM     18  C   LIG    1        3.421   0.667   1.258  0.00  0.00    +0.250 A 
ATOM     19  N   LIG    1        3.400   1.684   2.098  0.00  0.00    -0.106 NA
ATOM     20  N   LIG    1        2.077   2.058   2.222  0.00  0.00    -0.091 NA
BRANCH  18  21
ATOM     21  C   LIG    1        4.543  -0.121   0.766  0.00  0.00    +0.039 A 
ATOM     22  C   LIG    1        5.834   0.122   1.262  0.00  0.00    +0.013 A 
ATOM     23  C   LIG    1        6.927  -0.620   0.806  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        6.743  -1.614  -0.153  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.469  -1.866  -0.658  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        4.376  -1.124  -0.201  0.00  0.00    +0.013 A 
ENDBRANCH  18  21
ENDBRANCH  14  16
ENDBRANCH   1  14
TORSDOF 6