REMARK  Name = BDB007288
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.093   0.175  -1.090  0.00  0.00    -0.306 N 
ATOM      2  C   LIG    1       -1.091  -0.223  -0.359  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -2.023   0.753   0.068  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1       -3.172   0.368   0.779  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1       -3.413  -0.974   1.070  0.00  0.00    +0.016 A 
ATOM      6  C   LIG    1       -2.508  -1.947   0.648  0.00  0.00    +0.061 A 
ATOM      7  C   LIG    1       -1.726   2.143  -0.267  0.00  0.00    +0.034 A 
ATOM      8  C   LIG    1       -0.605   2.511  -0.977  0.00  0.00    +0.054 A 
ATOM      9  C   LIG    1       -0.547   3.927  -1.179  0.00  0.00    +0.021 A 
ATOM     10  C   LIG    1       -1.621   4.577  -0.614  0.00  0.00    +0.046 A 
ATOM     11  S   LIG    1       -2.690   3.485   0.152  0.00  0.00    -0.096 S 
ATOM     12  C   LIG    1       -1.359  -1.571  -0.064  0.00  0.00    +0.041 A 
ATOM     13  C   LIG    1        0.359   1.518  -1.435  0.00  0.00    +0.260 A 
ATOM     14  O   LIG    1        1.327   1.869  -2.108  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   6  15
ATOM     15  C   LIG    1       -2.716  -3.389   0.928  0.00  0.00    +0.337 C 
ATOM     16  O   LIG    1       -1.964  -4.289   0.603  0.00  0.00    -0.245 OA
BRANCH  15  17
ATOM     17  O   LIG    1       -3.854  -3.633   1.599  0.00  0.00    -0.477 OA
ATOM     18  H   LIG    1       -3.861  -4.607   1.712  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH   6  15
BRANCH   1  19
ATOM     19  C   LIG    1        1.127  -0.809  -1.438  0.00  0.00    +0.141 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.027  -1.219  -0.245  0.00  0.00    +0.105 C 
BRANCH  20  22
ATOM     21  C   LIG    1        3.832   0.408  -0.366  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1        2.714  -0.102   0.433  0.00  0.00    -0.307 NA
ATOM     23  C   LIG    1        3.205  -0.525   1.747  0.00  0.00    +0.104 C 
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 5