REMARK  Name = BDB025366
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.089   0.688   0.465  0.00  0.00    +0.256 C 
ATOM      2  N   LIG    1        0.261   0.432   0.112  0.00  0.00    -0.185 N 
ATOM      3  C   LIG    1        0.852  -0.252  -0.971  0.00  0.00    +0.126 A 
ATOM      4  C   LIG    1        2.177  -0.416  -0.641  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        3.309  -1.092  -1.327  0.00  0.00    +0.057 C 
ATOM      6  C   LIG    1        4.643  -0.472  -0.869  0.00  0.00    +0.114 C 
ATOM      7  N   LIG    1        4.710  -0.428   0.622  0.00  0.00    -0.175 NA
ATOM      8  C   LIG    1        3.670   0.427   1.281  0.00  0.00    +0.166 C 
ATOM      9  C   LIG    1        2.357   0.283   0.567  0.00  0.00    +0.084 A 
ATOM     10  N   LIG    1        1.239   0.881   0.972  0.00  0.00    -0.166 NA
ATOM     11  O   LIG    1       -1.326   1.519   1.341  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  16
ATOM     12  C   LIG    1       -6.161   2.886  -0.218  0.00  0.00    +0.148 C 
ATOM     13  N   LIG    1       -5.331   1.707  -0.132  0.00  0.00    -0.356 N 
ATOM     14  C   LIG    1       -3.975   1.687  -0.330  0.00  0.00    +0.090 A 
ATOM     15  C   LIG    1       -3.531   0.398  -0.116  0.00  0.00    -0.015 A 
ATOM     16  C   LIG    1       -2.135  -0.177  -0.224  0.00  0.00    +0.111 C 
ATOM     17  C   LIG    1       -2.094  -1.605   0.378  0.00  0.00    +0.018 C 
ATOM     18  C   LIG    1       -3.305  -2.457  -0.035  0.00  0.00    +0.006 C 
ATOM     19  C   LIG    1       -4.625  -1.853   0.464  0.00  0.00    +0.037 C 
ATOM     20  C   LIG    1       -4.682  -0.393   0.178  0.00  0.00    -0.026 A 
ATOM     21  C   LIG    1       -5.775   0.447   0.164  0.00  0.00    +0.089 A 
ENDBRANCH   1  16
BRANCH   7  22
ATOM     22  S   LIG    1        6.237  -0.401   1.334  0.00  0.00    +0.029 S 
ATOM     23  O   LIG    1        6.063  -0.419   2.770  0.00  0.00    -0.158 OA
ATOM     24  O   LIG    1        7.052  -1.392   0.665  0.00  0.00    -0.158 OA
ATOM     25  C   LIG    1        6.864   1.206   0.880  0.00  0.00    +0.215 C 
ENDBRANCH   7  22
BRANCH   3  26
ATOM     26  N   LIG    1        0.226  -0.651  -2.109  0.00  0.00    -0.343 N 
ATOM     27  H   LIG    1       -0.431  -0.011  -2.558  0.00  0.00    +0.144 HD
ATOM     28  H   LIG    1        0.802  -1.080  -2.834  0.00  0.00    +0.144 HD
ENDBRANCH   3  26
TORSDOF 3