REMARK  Name = BDB025412
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.016  -1.784  -0.153  0.00  0.00    +0.257 C 
ATOM      2  N   LIG    1        0.203  -1.106  -0.400  0.00  0.00    -0.185 N 
ATOM      3  C   LIG    1        0.644  -0.286  -1.456  0.00  0.00    +0.126 A 
ATOM      4  C   LIG    1        1.815   0.294  -1.027  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        2.718   1.287  -1.657  0.00  0.00    +0.057 C 
ATOM      6  C   LIG    1        3.709   1.843  -0.621  0.00  0.00    +0.114 C 
ATOM      7  N   LIG    1        4.345   0.780   0.228  0.00  0.00    -0.172 NA
ATOM      8  C   LIG    1        3.362  -0.071   1.008  0.00  0.00    +0.127 C 
ATOM      9  C   LIG    1        3.046   0.650   2.319  0.00  0.00    +0.032 C 
ATOM     10  C   LIG    1        2.122  -0.333   0.194  0.00  0.00    +0.087 A 
ATOM     11  N   LIG    1        1.191  -1.216   0.550  0.00  0.00    -0.165 NA
ATOM     12  O   LIG    1       -1.034  -2.696   0.674  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  20
ATOM     13  C   LIG    1       -6.181   0.397   1.903  0.00  0.00    +0.045 C 
ATOM     14  C   LIG    1       -4.853   0.599   1.223  0.00  0.00    -0.029 A 
ATOM     15  C   LIG    1       -4.193  -0.461   0.557  0.00  0.00    +0.034 A 
ATOM     16  N   LIG    1       -4.833  -1.708   0.438  0.00  0.00    -0.343 N 
ATOM     17  H   LIG    1       -5.407  -1.915   1.251  0.00  0.00    +0.146 HD
ATOM     18  C   LIG    1       -4.006  -2.839   0.052  0.00  0.00    +0.102 C 
ATOM     19  C   LIG    1       -3.182  -2.484  -1.175  0.00  0.00    +0.036 C 
ATOM     20  C   LIG    1       -2.255  -1.290  -0.890  0.00  0.00    +0.113 C 
ATOM     21  C   LIG    1       -2.981  -0.198  -0.117  0.00  0.00    -0.014 A 
ATOM     22  C   LIG    1       -2.430   1.097  -0.080  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1       -3.063   2.121   0.616  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -4.267   1.874   1.264  0.00  0.00    +0.005 A 
ENDBRANCH   1  20
BRANCH   7  25
ATOM     25  S   LIG    1        5.658  -0.066  -0.430  0.00  0.00    +0.030 S 
ATOM     26  O   LIG    1        6.082  -1.067   0.523  0.00  0.00    -0.158 OA
ATOM     27  O   LIG    1        5.339  -0.411  -1.797  0.00  0.00    -0.158 OA
ATOM     28  C   LIG    1        6.922   1.188  -0.450  0.00  0.00    +0.215 C 
ENDBRANCH   7  25
BRANCH   3  29
ATOM     29  N   LIG    1        0.043  -0.135  -2.666  0.00  0.00    -0.343 N 
ATOM     30  H   LIG    1        0.567   0.377  -3.377  0.00  0.00    +0.144 HD
ATOM     31  H   LIG    1       -0.369  -0.956  -3.109  0.00  0.00    +0.144 HD
ENDBRANCH   3  29
TORSDOF 3