REMARK  Name = BDB028641
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.398  -0.867   0.385  0.00  0.00    +0.126 A 
ATOM      2  C   LIG    1        2.603  -0.025   1.500  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1        1.695   1.016   1.787  0.00  0.00    +0.058 A 
ATOM      4  C   LIG    1        0.602   1.146   0.940  0.00  0.00    +0.170 A 
ATOM      5  C   LIG    1        0.359   0.331  -0.148  0.00  0.00    +0.068 A 
ATOM      6  C   LIG    1       -0.855   0.836  -0.686  0.00  0.00    +0.188 A 
ATOM      7  N   LIG    1       -1.304   1.876   0.022  0.00  0.00    -0.061 NA
ATOM      8  O   LIG    1       -0.388   2.071   1.040  0.00  0.00    -0.353 OA
ATOM      9  C   LIG    1        1.272  -0.701  -0.440  0.00  0.00    +0.061 A 
ENDROOT
BRANCH   6  10
ATOM     10  N   LIG    1       -1.497   0.303  -1.795  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -1.210  -0.601  -2.154  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -3.045   0.728  -2.276  0.00  0.00    +0.081 S 
ATOM     13  O   LIG    1       -3.429  -0.267  -3.262  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -3.007   2.130  -2.635  0.00  0.00    -0.150 OA
BRANCH  12  15
ATOM     15  C   LIG    1       -4.053   0.449  -0.849  0.00  0.00    +0.191 A 
ATOM     16  C   LIG    1       -3.954  -0.777  -0.172  0.00  0.00    +0.150 A 
ATOM     17  C   LIG    1       -4.693  -1.002   0.994  0.00  0.00    +0.048 A 
ATOM     18  C   LIG    1       -5.580  -0.032   1.455  0.00  0.00    +0.007 A 
ATOM     19  C   LIG    1       -5.722   1.164   0.755  0.00  0.00    +0.048 A 
ATOM     20  C   LIG    1       -4.950   1.415  -0.386  0.00  0.00    +0.150 A 
BRANCH  16  21
ATOM     21  O   LIG    1       -3.092  -1.754  -0.605  0.00  0.00    -0.493 OA
ATOM     22  C   LIG    1       -3.815  -2.874  -1.126  0.00  0.00    +0.277 C 
ENDBRANCH  16  21
BRANCH  20  23
ATOM     23  O   LIG    1       -5.194   2.565  -1.083  0.00  0.00    -0.493 OA
ATOM     24  C   LIG    1       -4.649   3.704  -0.415  0.00  0.00    +0.277 C 
ENDBRANCH  20  23
ENDBRANCH  12  15
ENDBRANCH  10  12
ENDBRANCH   6  10
BRANCH   1  25
ATOM     25  O   LIG    1        3.355  -1.831   0.193  0.00  0.00    -0.492 OA
BRANCH  25  27
ATOM     26  C   LIG    1        4.525  -3.490  -1.051  0.00  0.00    +0.048 C 
ATOM     27  C   LIG    1        3.300  -2.594  -1.012  0.00  0.00    +0.225 C 
ENDBRANCH  25  27
ENDBRANCH   1  25
BRANCH   2  28
ATOM     28  C   LIG    1        3.816  -0.185   2.392  0.00  0.00    +0.182 C 
BRANCH  28  29
ATOM     29  N   LIG    1        4.883   0.726   2.002  0.00  0.00    -0.267 N 
ATOM     30  N   LIG    1        5.008   1.923   2.617  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        6.075   2.469   2.029  0.00  0.00    +0.134 A 
ATOM     32  C   LIG    1        6.643   1.626   1.056  0.00  0.00    +0.041 A 
ATOM     33  C   LIG    1        5.855   0.500   1.067  0.00  0.00    +0.108 A 
ENDBRANCH  28  29
ENDBRANCH   2  28
TORSDOF 9