REMARK  Name = BDB032010
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.387   0.013   1.063  0.00  0.00    +0.173 A 
ATOM      2  O   LIG    1       -1.361   1.209   0.410  0.00  0.00    -0.353 OA
ATOM      3  N   LIG    1       -0.166   1.854   0.669  0.00  0.00    -0.061 NA
ATOM      4  C   LIG    1        0.517   1.044   1.478  0.00  0.00    +0.181 A 
ATOM      5  C   LIG    1       -0.216  -0.124   1.771  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1       -3.268  -0.910  -0.318  0.00  0.00    +0.131 A 
ATOM      7  C   LIG    1       -2.589  -0.793   0.908  0.00  0.00    +0.062 A 
ATOM      8  C   LIG    1       -3.097  -1.488   2.018  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -4.245  -2.277   1.908  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -4.896  -2.395   0.683  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -4.404  -1.719  -0.432  0.00  0.00    +0.046 A 
BRANCH   6  13
ATOM     12  C   LIG    1       -3.623   0.721  -1.917  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1       -2.756  -0.311  -1.443  0.00  0.00    -0.494 OA
ENDBRANCH   6  13
ENDBRANCH   1   7
BRANCH   4  14
ATOM     14  N   LIG    1        1.798   1.291   1.945  0.00  0.00    -0.201 N 
ATOM     15  H   LIG    1        2.327   0.531   2.365  0.00  0.00    +0.175 HD
BRANCH  14  16
ATOM     16  S   LIG    1        2.745   2.564   1.443  0.00  0.00    +0.048 S 
ATOM     17  O   LIG    1        2.058   3.806   1.733  0.00  0.00    -0.155 OA
ATOM     18  O   LIG    1        4.047   2.319   2.038  0.00  0.00    -0.155 OA
BRANCH  16  19
ATOM     19  C   LIG    1        2.896   2.382  -0.348  0.00  0.00    +0.223 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.226   0.960  -0.728  0.00  0.00    -0.025 A 
ATOM     21  C   LIG    1        2.266   0.159  -1.367  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        2.558  -1.161  -1.714  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        3.816  -1.693  -1.439  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        4.784  -0.904  -0.821  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.493   0.416  -0.472  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH  14  16
ENDBRANCH   4  14
TORSDOF 6