REMARK  Name = BDB025392
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.845   0.709  -0.239  0.00  0.00    +0.257 C 
ATOM      2  N   LIG    1        0.472   0.273   0.061  0.00  0.00    -0.185 N 
ATOM      3  C   LIG    1        0.998  -0.569   1.063  0.00  0.00    +0.126 A 
ATOM      4  C   LIG    1        2.303  -0.822   0.708  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        3.369  -1.651   1.328  0.00  0.00    +0.057 C 
ATOM      6  C   LIG    1        4.543  -1.841   0.346  0.00  0.00    +0.114 C 
ATOM      7  N   LIG    1        4.946  -0.516  -0.250  0.00  0.00    -0.175 NA
ATOM      8  C   LIG    1        3.866   0.048  -1.137  0.00  0.00    +0.166 C 
ATOM      9  C   LIG    1        2.549  -0.022  -0.422  0.00  0.00    +0.084 A 
ATOM     10  N   LIG    1        1.476   0.671  -0.794  0.00  0.00    -0.166 NA
ATOM     11  O   LIG    1       -1.010   1.561  -1.111  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  19
ATOM     12  C   LIG    1       -6.746   0.758  -1.200  0.00  0.00    +0.046 C 
ATOM     13  C   LIG    1       -5.546   1.177  -0.393  0.00  0.00    -0.027 A 
ATOM     14  C   LIG    1       -4.346   0.427  -0.402  0.00  0.00    +0.034 A 
ATOM     15  N   LIG    1       -4.286  -0.784  -1.115  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1       -4.849  -0.751  -1.962  0.00  0.00    +0.146 HD
ATOM     17  C   LIG    1       -2.964  -1.340  -1.348  0.00  0.00    +0.102 C 
ATOM     18  C   LIG    1       -2.193  -1.395  -0.039  0.00  0.00    +0.036 C 
ATOM     19  C   LIG    1       -1.983   0.023   0.504  0.00  0.00    +0.113 C 
ATOM     20  C   LIG    1       -3.277   0.831   0.428  0.00  0.00    -0.011 A 
ATOM     21  C   LIG    1       -3.386   2.008   1.189  0.00  0.00    +0.044 A 
ATOM     22  C   LIG    1       -4.554   2.754   1.149  0.00  0.00    +0.124 A 
ATOM     23  F   LIG    1       -4.649   3.870   1.882  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1       -5.630   2.350   0.374  0.00  0.00    +0.043 A 
ENDBRANCH   1  19
BRANCH   7  25
ATOM     25  S   LIG    1        6.486  -0.540  -0.968  0.00  0.00    +0.029 S 
ATOM     26  O   LIG    1        6.341  -1.095  -2.296  0.00  0.00    -0.158 OA
ATOM     27  O   LIG    1        7.403  -1.122  -0.012  0.00  0.00    -0.158 OA
ATOM     28  C   LIG    1        6.878   1.193  -1.103  0.00  0.00    +0.215 C 
ENDBRANCH   7  25
BRANCH   3  29
ATOM     29  N   LIG    1        0.340  -1.033   2.159  0.00  0.00    -0.343 N 
ATOM     30  H   LIG    1       -0.181  -0.361   2.724  0.00  0.00    +0.144 HD
ATOM     31  H   LIG    1        0.883  -1.609   2.804  0.00  0.00    +0.144 HD
ENDBRANCH   3  29
TORSDOF 3