REMARK  Name = BDB023232
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.156   2.553  -0.545  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -2.928   2.390  -1.517  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -2.372   2.006   0.479  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -2.773   1.899   1.628  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.066   1.573   0.022  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1       -0.318   0.797   0.870  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        0.855   0.512   0.245  0.00  0.00    +0.138 A 
ATOM      8  C   LIG    1        0.887   1.101  -1.009  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1        2.029   0.919  -1.803  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        3.086   0.147  -1.290  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1        3.035  -0.434  -0.012  0.00  0.00    +0.033 A 
ATOM     12  C   LIG    1        1.887  -0.259   0.777  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1       -0.351   1.783  -1.147  0.00  0.00    +0.063 A 
BRANCH  11  14
ATOM     14  N   LIG    1        4.113  -1.215   0.463  0.00  0.00    -0.325 N 
ATOM     15  C   LIG    1        4.446  -1.481   1.836  0.00  0.00    +0.138 C 
ATOM     16  C   LIG    1        5.827  -1.944   1.335  0.00  0.00    +0.153 C 
ATOM     17  C   LIG    1        5.495  -1.101   0.087  0.00  0.00    +0.138 C 
BRANCH  16  18
ATOM     18  O   LIG    1        6.967  -1.541   2.130  0.00  0.00    -0.374 OA
BRANCH  18  19
ATOM     19  C   LIG    1        8.242  -1.875   1.591  0.00  0.00    +0.157 C 
ATOM     20  C   LIG    1        9.311  -1.448   2.575  0.00  0.00    +0.034 C 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH  11  14
ENDBRANCH   3   5
BRANCH   1  21
ATOM     21  S   LIG    1       -4.737   3.016  -0.345  0.00  0.00    +0.078 S 
ATOM     22  O   LIG    1       -4.771   4.090   0.624  0.00  0.00    -0.150 OA
ATOM     23  O   LIG    1       -5.265   3.222  -1.678  0.00  0.00    -0.150 OA
BRANCH  21  25
ATOM     24  C   LIG    1       -5.505   0.374  -0.348  0.00  0.00    +0.147 A 
ATOM     25  C   LIG    1       -5.542   1.595   0.329  0.00  0.00    +0.150 A 
ATOM     26  C   LIG    1       -6.224   1.708   1.546  0.00  0.00    +0.032 A 
ATOM     27  C   LIG    1       -6.855   0.591   2.094  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -6.798  -0.636   1.433  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -6.118  -0.748   0.219  0.00  0.00    +0.047 A 
BRANCH  24  30
ATOM     30  O   LIG    1       -4.793   0.239  -1.509  0.00  0.00    -0.490 OA
BRANCH  30  32
ATOM     31  C   LIG    1       -5.115  -1.226  -3.378  0.00  0.00    +0.048 C 
ATOM     32  C   LIG    1       -5.642  -0.009  -2.639  0.00  0.00    +0.226 C 
ENDBRANCH  30  32
ENDBRANCH  24  30
ENDBRANCH  21  25
ENDBRANCH   1  21
TORSDOF 8