REMARK  Name = BDB031644
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.291   2.540   0.798  0.00  0.00    -0.214 N 
ATOM      2  H   LIG    1        0.658   3.068   0.011  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1  10
ATOM      3  C   LIG    1       -4.262  -0.947   0.185  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -3.058  -0.048   0.287  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -2.032  -0.004  -0.697  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1       -0.950   0.867  -0.511  0.00  0.00    +0.071 A 
ATOM      7  N   LIG    1       -0.099   0.697  -1.583  0.00  0.00    -0.358 N 
ATOM      8  H   LIG    1        0.783   1.178  -1.695  0.00  0.00    +0.165 HD
ATOM      9  C   LIG    1       -0.602  -0.232  -2.450  0.00  0.00    +0.102 A 
ATOM     10  C   LIG    1       -0.835   1.699   0.610  0.00  0.00    +0.072 A 
ATOM     11  C   LIG    1       -1.833   1.631   1.579  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -1.796  -0.685  -1.933  0.00  0.00    +0.077 A 
ATOM     13  C   LIG    1       -2.924   0.780   1.420  0.00  0.00    +0.006 A 
BRANCH  12  14
ATOM     14  C   LIG    1       -2.614  -1.678  -2.557  0.00  0.00    +0.101 C 
ATOM     15  N   LIG    1       -3.275  -2.486  -3.066  0.00  0.00    -0.191 NA
ENDBRANCH  12  14
ENDBRANCH   1  10
BRANCH   1  16
ATOM     16  S   LIG    1        1.459   2.126   1.942  0.00  0.00    +0.072 S 
ATOM     17  O   LIG    1        0.839   1.997   3.243  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1        2.563   3.036   1.719  0.00  0.00    -0.150 OA
BRANCH  16  19
ATOM     19  C   LIG    1        1.977   0.512   1.408  0.00  0.00    +0.110 A 
ATOM     20  C   LIG    1        3.044   0.396   0.509  0.00  0.00    +0.051 A 
ATOM     21  C   LIG    1        3.436  -0.862   0.049  0.00  0.00    +0.026 A 
ATOM     22  C   LIG    1        2.813  -1.996   0.583  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        1.762  -1.881   1.497  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        1.339  -0.622   1.914  0.00  0.00    +0.029 A 
BRANCH  21  25
ATOM     25  N   LIG    1        4.569  -0.998  -0.754  0.00  0.00    -0.358 N 
ATOM     26  H   LIG    1        4.809  -0.189  -1.317  0.00  0.00    +0.142 HD
ATOM     27  H   LIG    1        4.630  -1.872  -1.266  0.00  0.00    +0.142 HD
ENDBRANCH  21  25
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 5