REMARK  Name = BDB059190
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.370   0.472  -1.627  0.00  0.00    +0.191 A 
ATOM      2  N   LIG    1       -1.230  -0.645  -0.904  0.00  0.00    -0.220 NA
ATOM      3  C   LIG    1       -0.381  -0.613   0.150  0.00  0.00    +0.094 A 
ATOM      4  C   LIG    1        0.354   0.516   0.471  0.00  0.00    +0.110 A 
ATOM      5  C   LIG    1        0.161   1.610  -0.357  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1       -0.707   1.607  -1.394  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.319  -1.888   0.891  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.004  -3.082   0.215  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1        0.058  -4.303   0.892  0.00  0.00    +0.016 A 
ATOM     10  C   LIG    1       -0.204  -4.348   2.258  0.00  0.00    +0.018 A 
ATOM     11 BR   LIG    1       -0.123  -5.997   3.178  0.00  0.00    -0.050 Br
ATOM     12  C   LIG    1       -0.534  -3.185   2.949  0.00  0.00    +0.016 A 
ATOM     13  C   LIG    1       -0.596  -1.965   2.268  0.00  0.00    +0.011 A 
ENDBRANCH   3   7
BRANCH   4  14
ATOM     14  C   LIG    1        1.264   0.545   1.571  0.00  0.00    +0.104 C 
ATOM     15  N   LIG    1        1.976   0.578   2.488  0.00  0.00    -0.191 NA
ENDBRANCH   4  14
BRANCH   1  16
ATOM     16  S   LIG    1       -2.475   0.400  -3.006  0.00  0.00    -0.073 S 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.241   2.039  -2.861  0.00  0.00    +0.165 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -4.798   2.265  -0.703  0.00  0.00    +0.004 C 
ATOM     19  C   LIG    1       -4.098   2.162  -1.674  0.00  0.00    -0.094 C 
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH   1  16
BRANCH   5  20
ATOM     20  S   LIG    1        1.006   3.169  -0.130  0.00  0.00    -0.042 S 
BRANCH  20  21
ATOM     21  C   LIG    1        2.524   2.749  -0.904  0.00  0.00    +0.141 A 
ATOM     22  S   LIG    1        3.660   3.947  -1.376  0.00  0.00    -0.069 S 
ATOM     23  C   LIG    1        4.706   2.713  -1.943  0.00  0.00    +0.067 A 
ATOM     24  C   LIG    1        4.126   1.481  -1.731  0.00  0.00    +0.120 A 
ATOM     25  N   LIG    1        2.880   1.503  -1.136  0.00  0.00    -0.241 NA
ENDBRANCH  20  21
ENDBRANCH   5  20
TORSDOF 7