REMARK  Name = BDB023327
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.232  -1.167   0.514  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1        1.883  -2.112   0.600  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        1.393  -0.050   0.426  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1        1.828   1.077   0.243  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.017  -0.382   0.503  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1       -0.921   0.619   0.244  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1       -2.169   0.098   0.374  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1       -2.094  -1.241   0.714  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1       -3.297  -1.931   0.891  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1       -4.517  -1.266   0.720  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -4.572   0.089   0.366  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1       -3.295  -3.229   1.224  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -3.365   0.794   0.196  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1       -0.710  -1.547   0.798  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1       -5.803   0.764   0.208  0.00  0.00    -0.324 N 
ATOM     16  C   LIG    1       -7.149   0.290  -0.012  0.00  0.00    +0.031 C 
ATOM     17  C   LIG    1       -7.810  -0.239   1.253  0.00  0.00    +0.031 C 
ATOM     18  C   LIG    1       -7.283  -0.639  -1.214  0.00  0.00    +0.031 C 
ATOM     19  C   LIG    1       -7.528   1.758  -0.313  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1       -6.030   2.022  -0.445  0.00  0.00    +0.108 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  21
ATOM     21  S   LIG    1        3.848  -1.069   0.922  0.00  0.00    +0.077 S 
ATOM     22  O   LIG    1        3.921  -0.162   2.045  0.00  0.00    -0.150 OA
ATOM     23  O   LIG    1        4.238  -2.461   1.035  0.00  0.00    -0.150 OA
BRANCH  21  33
ATOM     24  C   LIG    1        8.575   0.251   2.301  0.00  0.00    +0.065 C 
ATOM     25  C   LIG    1        7.918   0.377   0.960  0.00  0.00    +0.039 A 
ATOM     26  N   LIG    1        6.644  -0.068   0.851  0.00  0.00    -0.250 NA
ATOM     27  C   LIG    1        5.989   0.028  -0.327  0.00  0.00    +0.098 A 
ATOM     28  C   LIG    1        6.635   0.567  -1.462  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        5.976   0.644  -2.701  0.00  0.00    +0.010 A 
ATOM     30  C   LIG    1        4.673   0.180  -2.839  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1        4.018  -0.353  -1.736  0.00  0.00    +0.031 A 
ATOM     32  C   LIG    1        7.954   1.018  -1.332  0.00  0.00    +0.012 A 
ATOM     33  C   LIG    1        4.672  -0.408  -0.493  0.00  0.00    +0.134 A 
ATOM     34  C   LIG    1        8.605   0.926  -0.109  0.00  0.00    +0.023 A 
ENDBRANCH  21  33
ENDBRANCH   1  21
TORSDOF 4