REMARK  Name = BDB007089
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.072   0.027  -1.431  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        1.001  -0.555  -2.306  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        2.275  -0.918  -1.827  0.00  0.00    +0.001 A 
ATOM      4  C   LIG    1        3.409  -1.525  -2.431  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        4.383  -1.646  -1.467  0.00  0.00    +0.087 A 
ATOM      6  N   LIG    1        3.892  -1.112  -0.300  0.00  0.00    -0.342 N 
ATOM      7  C   LIG    1        2.593  -0.676  -0.487  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1        1.678  -0.082   0.396  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1        0.417   0.270  -0.098  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  12
ATOM     10  N   LIG    1       -2.314   0.369  -1.078  0.00  0.00    -0.305 N 
ATOM     11  H   LIG    1       -2.176  -0.077  -0.182  0.00  0.00    +0.150 HD
ATOM     12  C   LIG    1       -1.266   0.391  -1.974  0.00  0.00    +0.245 C 
ATOM     13  O   LIG    1       -1.400   0.655  -3.163  0.00  0.00    -0.270 OA
BRANCH  10  15
ATOM     14  C   LIG    1       -3.924   2.106  -1.779  0.00  0.00    +0.033 C 
ATOM     15  C   LIG    1       -3.681   0.619  -1.505  0.00  0.00    +0.100 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -4.647   0.064  -0.468  0.00  0.00    -0.027 A 
ATOM     17  C   LIG    1       -4.781   0.652   0.802  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1       -5.661   0.119   1.748  0.00  0.00    +0.033 A 
ATOM     19  C   LIG    1       -6.411  -1.019   1.429  0.00  0.00    +0.126 A 
ATOM     20  C   LIG    1       -6.284  -1.625   0.174  0.00  0.00    +0.033 A 
ATOM     21  C   LIG    1       -5.402  -1.084  -0.766  0.00  0.00    +0.007 A 
BRANCH  19  22
ATOM     22  N   LIG    1       -7.335  -1.584   2.421  0.00  0.00    +0.056 N 
ATOM     23  O   LIG    1       -7.399  -1.032   3.528  0.00  0.00    -0.126 OA
ATOM     24  O   LIG    1       -7.994  -2.581   2.093  0.00  0.00    -0.126 OA
ENDBRANCH  19  22
ENDBRANCH  15  16
ENDBRANCH  10  15
ENDBRANCH   1  12
BRANCH   6  25
ATOM     25  C   LIG    1        4.636  -1.065   0.956  0.00  0.00    +0.159 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.188   0.308   1.235  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1        4.764   1.020   2.364  0.00  0.00    +0.131 A 
ATOM     28  F   LIG    1        3.860   0.478   3.192  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1        5.257   2.287   2.655  0.00  0.00    +0.077 A 
ATOM     30  C   LIG    1        6.195   2.853   1.804  0.00  0.00    +0.126 A 
ATOM     31  F   LIG    1        6.679   4.072   2.074  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1        6.643   2.172   0.676  0.00  0.00    +0.039 A 
ATOM     33  C   LIG    1        6.143   0.900   0.392  0.00  0.00    +0.011 A 
ENDBRANCH  25  26
ENDBRANCH   6  25
TORSDOF 6