REMARK  Name = BDB023360
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.831  -0.977   0.390  0.00  0.00    -0.265 OA
ATOM      2  C   LIG    1       -0.433   0.176   0.333  0.00  0.00    +0.298 C 
ATOM      3  N   LIG    1       -1.310   1.262   0.213  0.00  0.00    -0.179 N 
ATOM      4  H   LIG    1       -0.994   2.214   0.083  0.00  0.00    +0.177 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.964   0.564   0.321  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.899  -0.435   0.223  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        3.128   0.142   0.230  0.00  0.00    +0.136 A 
ATOM      8  C   LIG    1        3.012   1.519   0.332  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1        4.184   2.290   0.358  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        5.422   1.630   0.276  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        5.520   0.228   0.172  0.00  0.00    -0.014 A 
ATOM     12  C   LIG    1        4.341  -0.540   0.147  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1        1.617   1.785   0.391  0.00  0.00    +0.063 A 
BRANCH  11  14
ATOM     14  C   LIG    1        6.837  -0.427   0.089  0.00  0.00    -0.015 A 
ATOM     15  C   LIG    1        7.827  -0.188   1.050  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1        9.051  -0.828   0.929  0.00  0.00    +0.111 A 
ATOM     17  N   LIG    1        9.358  -1.678  -0.072  0.00  0.00    -0.263 NA
ATOM     18  C   LIG    1        8.396  -1.901  -0.990  0.00  0.00    +0.111 A 
ATOM     19  C   LIG    1        7.142  -1.311  -0.953  0.00  0.00    +0.028 A 
ENDBRANCH  11  14
ENDBRANCH   2   5
BRANCH   3  20
ATOM     20  S   LIG    1       -2.940   1.167   0.525  0.00  0.00    +0.075 S 
ATOM     21  O   LIG    1       -3.421   2.518   0.316  0.00  0.00    -0.150 OA
ATOM     22  O   LIG    1       -3.076   0.506   1.802  0.00  0.00    -0.150 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -3.632   0.175  -0.779  0.00  0.00    +0.116 A 
ATOM     24  C   LIG    1       -4.864  -0.483  -0.600  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1       -5.342  -1.282  -1.659  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1       -4.634  -1.408  -2.856  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -3.433  -0.729  -3.026  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -2.933   0.065  -1.994  0.00  0.00    +0.029 A 
BRANCH  24  29
ATOM     29  C   LIG    1       -5.702  -0.355   0.599  0.00  0.00    -0.016 A 
ATOM     30  C   LIG    1       -6.449   0.811   0.832  0.00  0.00    +0.008 A 
ATOM     31  C   LIG    1       -7.259   0.926   1.963  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -7.338  -0.125   2.874  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -6.606  -1.290   2.656  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1       -5.796  -1.406   1.525  0.00  0.00    +0.008 A 
ENDBRANCH  24  29
ENDBRANCH  20  23
ENDBRANCH   3  20
TORSDOF 5