REMARK  Name = BDB023342
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.432  -2.513   0.499  0.00  0.00    +0.298 C 
ATOM      2  N   LIG    1       -2.677  -2.262  -0.100  0.00  0.00    -0.179 N 
ATOM      3  H   LIG    1       -2.785  -1.481  -0.729  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1       -1.274  -3.354   1.371  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1        3.655   0.461  -0.375  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1        2.935  -0.443   0.428  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1        1.642  -0.772   0.024  0.00  0.00    +0.136 A 
ATOM      8  C   LIG    1        1.027  -0.268  -1.111  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1       -0.265  -0.858  -1.142  0.00  0.00    +0.063 A 
ATOM     10  C   LIG    1       -0.371  -1.673  -0.026  0.00  0.00    +0.192 A 
ATOM     11  C   LIG    1        1.741   0.632  -1.916  0.00  0.00    +0.012 A 
ATOM     12  O   LIG    1        0.808  -1.625   0.674  0.00  0.00    -0.450 OA
ATOM     13  C   LIG    1        3.046   0.983  -1.533  0.00  0.00    +0.009 A 
BRANCH   5  18
ATOM     14  C   LIG    1        9.054   2.032   1.073  0.00  0.00    +0.044 C 
ATOM     15  C   LIG    1        7.665   1.602   0.708  0.00  0.00    -0.050 A 
ATOM     16  C   LIG    1        6.615   1.745   1.619  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        5.314   1.370   1.268  0.00  0.00    +0.009 A 
ATOM     18  C   LIG    1        5.027   0.855  -0.006  0.00  0.00    -0.018 A 
ATOM     19  C   LIG    1        6.087   0.730  -0.918  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1        7.389   1.103  -0.568  0.00  0.00    +0.004 A 
ENDBRANCH   5  18
ENDBRANCH   1  10
BRANCH   2  21
ATOM     21  S   LIG    1       -4.079  -2.940   0.476  0.00  0.00    +0.075 S 
ATOM     22  O   LIG    1       -4.186  -2.763   1.906  0.00  0.00    -0.150 OA
ATOM     23  O   LIG    1       -4.185  -4.245  -0.142  0.00  0.00    -0.150 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -5.372  -1.926  -0.247  0.00  0.00    +0.116 A 
ATOM     25  C   LIG    1       -5.350  -0.513  -0.217  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1       -6.438   0.163  -0.811  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1       -7.494  -0.525  -1.412  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -7.494  -1.914  -1.436  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -6.439  -2.614  -0.855  0.00  0.00    +0.029 A 
BRANCH  25  30
ATOM     30  C   LIG    1       -4.272   0.306   0.361  0.00  0.00    -0.016 A 
ATOM     31  C   LIG    1       -3.476   1.115  -0.471  0.00  0.00    +0.008 A 
ATOM     32  C   LIG    1       -2.425   1.872   0.052  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1       -2.157   1.837   1.417  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -2.951   1.063   2.260  0.00  0.00    +0.001 A 
ATOM     35  C   LIG    1       -4.008   0.314   1.737  0.00  0.00    +0.008 A 
ENDBRANCH  25  30
ENDBRANCH  21  24
ENDBRANCH   2  21
TORSDOF 5