REMARK  Name = BDB029489
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.148   1.377   1.017  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -0.906   0.709   0.424  0.00  0.00    -0.297 N 
ATOM      3  C   LIG    1       -2.266   1.199   0.577  0.00  0.00    +0.124 C 
ATOM      4  C   LIG    1       -3.150   0.221  -0.209  0.00  0.00    +0.065 C 
ATOM      5  C   LIG    1       -3.381   0.693  -1.643  0.00  0.00    +0.227 C 
ATOM      6  O   LIG    1       -2.699   1.543  -2.206  0.00  0.00    -0.275 OA
ATOM      7  N   LIG    1       -4.398   0.066  -2.324  0.00  0.00    -0.256 N 
ATOM      8  H   LIG    1       -4.537   0.391  -3.272  0.00  0.00    +0.157 HD
ATOM      9  C   LIG    1       -5.491  -0.550  -1.770  0.00  0.00    +0.219 C 
ATOM     10  O   LIG    1       -6.490  -0.788  -2.442  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -5.381  -0.945  -0.319  0.00  0.00    +0.097 C 
ATOM     12  C   LIG    1       -4.517   0.038   0.457  0.00  0.00    +0.027 C 
ATOM     13  C   LIG    1       -2.302  -1.066  -0.219  0.00  0.00    +0.036 C 
ATOM     14  C   LIG    1       -0.869  -0.553  -0.294  0.00  0.00    +0.109 C 
ATOM     15  O   LIG    1       -0.004   2.329   1.777  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  19
ATOM     16  C   LIG    1        4.159   0.068   0.293  0.00  0.00    +0.059 A 
ATOM     17  C   LIG    1        3.675   0.197   1.604  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1        2.363   0.623   1.830  0.00  0.00    +0.014 A 
ATOM     19  C   LIG    1        1.525   0.907   0.747  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1        2.007   0.807  -0.562  0.00  0.00    +0.014 A 
ATOM     21  C   LIG    1        3.318   0.380  -0.787  0.00  0.00    +0.016 A 
BRANCH  16  22
ATOM     22  C   LIG    1        5.546  -0.383  -0.005  0.00  0.00    +0.339 C 
ATOM     23  O   LIG    1        5.976  -0.531  -1.139  0.00  0.00    -0.245 OA
BRANCH  22  25
ATOM     24  C   LIG    1        7.584  -1.030   0.933  0.00  0.00    +0.280 C 
ATOM     25  O   LIG    1        6.237  -0.601   1.141  0.00  0.00    -0.464 OA
ENDBRANCH  22  25
ENDBRANCH  16  22
ENDBRANCH   1  19
TORSDOF 3