REMARK  Name = BDB002832
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.881   0.056  -0.420  0.00  0.00    +0.078 C 
ATOM      2  C   LIG    1        0.733  -0.632  -1.105  0.00  0.00    +0.152 C 
ATOM      3  N   LIG    1        1.028  -2.058  -1.357  0.00  0.00    -0.242 N 
ATOM      4  C   LIG    1        0.339  -2.587  -2.469  0.00  0.00    +0.219 C 
ATOM      5  O   LIG    1       -0.627  -2.024  -2.990  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1        0.850  -3.867  -3.081  0.00  0.00    +0.110 C 
ATOM      7  C   LIG    1        1.767  -2.756  -0.385  0.00  0.00    +0.144 C 
ATOM      8  S   LIG    1        1.737  -4.391  -0.027  0.00  0.00    -0.018 S 
ATOM      9  N   LIG    1        2.643  -1.994   0.359  0.00  0.00    -0.300 N 
ATOM     10  H   LIG    1        3.256  -2.522   0.977  0.00  0.00    +0.154 HD
ATOM     11  C   LIG    1        2.795  -0.631   0.282  0.00  0.00    +0.019 C 
ATOM     12  C   LIG    1        3.975  -0.063   1.016  0.00  0.00    +0.061 C 
ENDROOT
BRANCH   2  13
ATOM     13  C   LIG    1       -0.579  -0.434  -0.334  0.00  0.00    -0.018 A 
ATOM     14  C   LIG    1       -1.649   0.238  -0.953  0.00  0.00    +0.055 A 
ATOM     15  C   LIG    1       -2.858   0.455  -0.279  0.00  0.00    +0.162 A 
ATOM     16  C   LIG    1       -3.007   0.008   1.047  0.00  0.00    +0.162 A 
ATOM     17  C   LIG    1       -1.949  -0.662   1.667  0.00  0.00    +0.050 A 
ATOM     18  C   LIG    1       -0.749  -0.884   0.983  0.00  0.00    +0.009 A 
BRANCH  15  19
ATOM     19  O   LIG    1       -3.937   1.108  -0.825  0.00  0.00    -0.491 OA
ATOM     20  C   LIG    1       -3.942   1.281  -2.235  0.00  0.00    +0.277 C 
ENDBRANCH  15  19
BRANCH  16  21
ATOM     21  O   LIG    1       -4.215   0.273   1.643  0.00  0.00    -0.491 OA
ATOM     22  C   LIG    1       -4.425  -0.227   2.956  0.00  0.00    +0.277 C 
ENDBRANCH  16  21
ENDBRANCH   2  13
BRANCH   1  23
ATOM     23  C   LIG    1        1.881   1.524  -0.565  0.00  0.00    +0.339 C 
ATOM     24  O   LIG    1        1.730   2.091  -1.635  0.00  0.00    -0.245 OA
BRANCH  23  25
ATOM     25  O   LIG    1        1.994   2.114   0.650  0.00  0.00    -0.462 OA
BRANCH  25  27
ATOM     26  C   LIG    1        2.044   4.055   2.038  0.00  0.00    +0.048 C 
ATOM     27  C   LIG    1        1.909   3.543   0.617  0.00  0.00    +0.229 C 
ENDBRANCH  25  27
ENDBRANCH  23  25
ENDBRANCH   1  23
TORSDOF 6