REMARK  Name = BDB025491
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.423   0.798  -0.442  0.00  0.00    -0.175 NA
ATOM      2  C   LIG    1        3.014   0.648   0.032  0.00  0.00    +0.165 C 
ATOM      3  C   LIG    1        2.505  -0.668  -0.439  0.00  0.00    +0.069 A 
ATOM      4  C   LIG    1        3.126  -1.535  -1.312  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        2.261  -2.630  -1.407  0.00  0.00    +0.142 A 
ATOM      6  N   LIG    1        1.162  -2.465  -0.679  0.00  0.00    -0.149 NA
ATOM      7  C   LIG    1        4.447  -1.222  -1.907  0.00  0.00    +0.057 C 
ATOM      8  N   LIG    1        1.305  -1.247  -0.084  0.00  0.00    -0.201 N 
ATOM      9  C   LIG    1        0.297  -0.719   0.748  0.00  0.00    +0.255 C 
ATOM     10  O   LIG    1        0.455   0.402   1.220  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1        4.697   0.298  -1.825  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1       -0.894  -1.640   0.990  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1       -2.160  -0.842   1.263  0.00  0.00    -0.014 A 
ATOM     14  C   LIG    1       -2.665  -0.724   2.567  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -3.850  -0.007   2.763  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1       -4.489   0.638   1.699  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1       -3.978   0.561   0.398  0.00  0.00    -0.017 A 
ATOM     18  N   LIG    1       -2.107  -1.424   3.645  0.00  0.00    -0.344 N 
ATOM     19  H   LIG    1       -2.273  -0.954   4.532  0.00  0.00    +0.146 HD
ATOM     20  C   LIG    1       -0.736  -1.881   3.482  0.00  0.00    +0.102 C 
ATOM     21  C   LIG    1       -2.812  -0.192   0.196  0.00  0.00    +0.014 A 
ATOM     22  C   LIG    1       -0.581  -2.597   2.147  0.00  0.00    +0.036 C 
BRANCH  17  23
ATOM     23  C   LIG    1       -4.646   1.239  -0.723  0.00  0.00    -0.015 A 
ATOM     24  C   LIG    1       -5.049   0.532  -1.861  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1       -5.673   1.217  -2.893  0.00  0.00    +0.111 A 
ATOM     26  N   LIG    1       -5.918   2.543  -2.873  0.00  0.00    -0.263 NA
ATOM     27  C   LIG    1       -5.527   3.212  -1.769  0.00  0.00    +0.111 A 
ATOM     28  C   LIG    1       -4.900   2.615  -0.687  0.00  0.00    +0.028 A 
ENDBRANCH  17  23
ENDBRANCH   9  12
BRANCH   1  30
ATOM     29  C   LIG    1        4.446   3.466  -0.948  0.00  0.00    +0.215 C 
ATOM     30  S   LIG    1        5.221   2.205   0.046  0.00  0.00    +0.029 S 
ATOM     31  O   LIG    1        6.601   2.102  -0.378  0.00  0.00    -0.158 OA
ATOM     32  O   LIG    1        4.880   2.459   1.429  0.00  0.00    -0.158 OA
ENDBRANCH   1  30
BRANCH   5  33
ATOM     33  N   LIG    1        2.495  -3.718  -2.141  0.00  0.00    -0.341 N 
ATOM     34  H   LIG    1        3.201  -3.741  -2.866  0.00  0.00    +0.144 HD
ATOM     35  H   LIG    1        1.733  -4.373  -2.277  0.00  0.00    +0.144 HD
ENDBRANCH   5  33
TORSDOF 4