REMARK  Name = BDB053785
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.262  -1.836  -0.403  0.00  0.00    +0.067 C 
ATOM      2  C   LIG    1        3.800  -1.720  -0.187  0.00  0.00    +0.063 A 
ATOM      3  N   LIG    1        3.225  -0.516  -0.138  0.00  0.00    -0.170 NA
ATOM      4  N   LIG    1        1.901  -0.756   0.070  0.00  0.00    -0.212 N 
ATOM      5  C   LIG    1        1.655  -2.132   0.159  0.00  0.00    +0.156 A 
ATOM      6  N   LIG    1        0.410  -2.638   0.390  0.00  0.00    -0.234 NA
ATOM      7  C   LIG    1       -0.542  -1.760   0.491  0.00  0.00    +0.142 A 
ATOM      8  C   LIG    1       -0.410  -0.287   0.348  0.00  0.00    +0.137 A 
ATOM      9  C   LIG    1        0.850   0.179   0.184  0.00  0.00    +0.101 A 
ATOM     10  C   LIG    1        2.867  -2.757  -0.011  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1        1.173   1.620   0.123  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        1.153   2.402   1.287  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        1.453   3.764   1.225  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        1.781   4.352   0.005  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        1.812   3.580  -1.155  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        1.511   2.219  -1.098  0.00  0.00    +0.010 A 
ENDBRANCH   9  11
BRANCH   8  17
ATOM     17  S   LIG    1       -1.788   0.741   0.484  0.00  0.00    +0.029 S 
ATOM     18  O   LIG    1       -1.763   1.787  -0.521  0.00  0.00    -0.164 OA
ATOM     19  O   LIG    1       -1.976   1.071   1.886  0.00  0.00    -0.164 OA
BRANCH  17  20
ATOM     20  C   LIG    1       -3.175  -0.284   0.014  0.00  0.00    +0.094 A 
ATOM     21  C   LIG    1       -4.080  -0.727   0.983  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1       -5.154  -1.529   0.598  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -5.325  -1.873  -0.744  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -4.430  -1.409  -1.710  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -3.353  -0.607  -1.336  0.00  0.00    +0.027 A 
ENDBRANCH  17  20
ENDBRANCH   8  17
TORSDOF 3