REMARK  Name = BDB003575
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.143   0.438  -0.648  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1       -2.936  -0.926  -0.386  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1       -1.639  -1.443  -0.246  0.00  0.00    +0.101 A 
ATOM      4  C   LIG    1       -0.541  -0.588  -0.348  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1       -0.733   0.771  -0.628  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -2.026   1.278  -0.773  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -4.949   0.837   1.708  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -5.367   1.172   0.301  0.00  0.00    -0.043 A 
ATOM      9  C   LIG    1       -4.503   0.976  -0.800  0.00  0.00    -0.015 A 
ATOM     10  C   LIG    1       -4.963   1.309  -2.088  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1       -6.249   1.812  -2.289  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -7.100   1.990  -1.204  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -6.664   1.669   0.081  0.00  0.00    +0.004 A 
ENDBRANCH   1   9
BRANCH   3  14
ATOM     14  S   LIG    1       -1.447  -3.158   0.170  0.00  0.00    -0.005 S 
ATOM     15  O   LIG    1       -0.409  -3.260   1.175  0.00  0.00    -0.170 OA
ATOM     16  O   LIG    1       -2.777  -3.663   0.470  0.00  0.00    -0.170 OA
ATOM     17  C   LIG    1       -0.921  -3.960  -1.320  0.00  0.00    +0.200 C 
ENDBRANCH   3  14
BRANCH   4  18
ATOM     18  C   LIG    1        0.847  -1.066  -0.271  0.00  0.00    +0.248 C 
ATOM     19  N   LIG    1        1.587  -0.803   0.875  0.00  0.00    -0.300 N 
ATOM     20  C   LIG    1        1.045  -0.196   2.086  0.00  0.00    +0.132 C 
ATOM     21  O   LIG    1        1.275  -1.631  -1.274  0.00  0.00    -0.270 OA
BRANCH  19  22
ATOM     22  C   LIG    1        3.000  -1.182   0.899  0.00  0.00    +0.111 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.956   0.021   0.785  0.00  0.00    +0.006 C 
ATOM     24  C   LIG    1        3.807   0.747  -0.562  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1        4.809   1.891  -0.706  0.00  0.00    +0.000 C 
ATOM     26  C   LIG    1        6.242   1.417  -0.494  0.00  0.00    +0.000 C 
ATOM     27  C   LIG    1        6.402   0.702   0.843  0.00  0.00    +0.000 C 
ATOM     28  C   LIG    1        5.407  -0.447   0.986  0.00  0.00    +0.005 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH   4  18
TORSDOF 5