REMARK  Name = BDB025455
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.388  -0.320   0.428  0.00  0.00    -0.175 NA
ATOM      2  C   LIG    1        3.386   0.308   1.348  0.00  0.00    +0.166 C 
ATOM      3  C   LIG    1        1.996   0.076   0.830  0.00  0.00    +0.084 A 
ATOM      4  N   LIG    1        0.903   0.455   1.487  0.00  0.00    -0.166 NA
ATOM      5  N   LIG    1       -0.155   0.020   0.719  0.00  0.00    -0.185 N 
ATOM      6  C   LIG    1        0.319  -0.489  -0.512  0.00  0.00    +0.126 A 
ATOM      7  C   LIG    1       -1.450   0.136   1.284  0.00  0.00    +0.256 C 
ATOM      8  O   LIG    1       -1.600   0.752   2.340  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        1.693  -0.493  -0.419  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1        2.760  -0.934  -1.354  0.00  0.00    +0.057 C 
ATOM     11  C   LIG    1        4.076  -0.202  -1.027  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -2.582  -0.536   0.541  0.00  0.00    +0.111 C 
ATOM     13  C   LIG    1       -3.330   0.423  -0.352  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1       -4.703   0.341  -0.528  0.00  0.00    +0.021 A 
ATOM     15  N   LIG    1       -5.094   1.327  -1.396  0.00  0.00    -0.349 N 
ATOM     16  H   LIG    1       -6.038   1.524  -1.699  0.00  0.00    +0.166 HD
ATOM     17  C   LIG    1       -3.988   2.030  -1.761  0.00  0.00    +0.107 A 
ATOM     18 CL   LIG    1       -4.186   3.326  -2.838  0.00  0.00    -0.064 Cl
ATOM     19  C   LIG    1       -5.634  -0.600   0.155  0.00  0.00    +0.053 C 
ATOM     20  C   LIG    1       -4.837  -1.709   0.864  0.00  0.00    +0.007 C 
ATOM     21  C   LIG    1       -2.880   1.522  -1.137  0.00  0.00    +0.044 A 
ATOM     22  C   LIG    1       -3.575  -1.166   1.562  0.00  0.00    +0.018 C 
ENDBRANCH   7  12
BRANCH   1  24
ATOM     23  C   LIG    1        6.359   1.543   0.567  0.00  0.00    +0.215 C 
ATOM     24  S   LIG    1        6.001  -0.173   0.894  0.00  0.00    +0.029 S 
ATOM     25  O   LIG    1        6.797  -0.967  -0.017  0.00  0.00    -0.158 OA
ATOM     26  O   LIG    1        6.075  -0.376   2.325  0.00  0.00    -0.158 OA
ENDBRANCH   1  24
BRANCH   6  27
ATOM     27  N   LIG    1       -0.424  -0.896  -1.571  0.00  0.00    -0.343 N 
ATOM     28  H   LIG    1        0.055  -1.137  -2.439  0.00  0.00    +0.144 HD
ATOM     29  H   LIG    1       -1.333  -0.489  -1.783  0.00  0.00    +0.144 HD
ENDBRANCH   6  27
TORSDOF 3