REMARK  Name = BDB007084
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.179   0.647  -0.525  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.329  -0.284  -1.446  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        1.577  -0.891  -1.198  0.00  0.00    +0.001 A 
ATOM      4  C   LIG    1        2.352  -1.853  -1.900  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        3.497  -2.080  -1.175  0.00  0.00    +0.087 A 
ATOM      6  N   LIG    1        3.464  -1.271  -0.065  0.00  0.00    -0.342 N 
ATOM      7  C   LIG    1        2.288  -0.543  -0.045  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1        1.797   0.396   0.875  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1        0.557   0.987   0.612  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  12
ATOM     10  N   LIG    1       -2.438   0.579  -1.433  0.00  0.00    -0.305 N 
ATOM     11  H   LIG    1       -2.282  -0.414  -1.530  0.00  0.00    +0.150 HD
ATOM     12  C   LIG    1       -1.495   1.310  -0.738  0.00  0.00    +0.245 C 
ATOM     13  O   LIG    1       -1.704   2.427  -0.279  0.00  0.00    -0.270 OA
BRANCH  10  15
ATOM     14  C   LIG    1       -4.360   0.702  -2.937  0.00  0.00    +0.033 C 
ATOM     15  C   LIG    1       -3.813   1.040  -1.549  0.00  0.00    +0.100 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -4.638   0.470  -0.403  0.00  0.00    -0.027 A 
ATOM     17  C   LIG    1       -4.774   1.225   0.776  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1       -5.497   0.737   1.868  0.00  0.00    +0.033 A 
ATOM     19  C   LIG    1       -6.087  -0.528   1.789  0.00  0.00    +0.126 A 
ATOM     20  C   LIG    1       -5.951  -1.304   0.631  0.00  0.00    +0.033 A 
ATOM     21  C   LIG    1       -5.224  -0.806  -0.455  0.00  0.00    +0.007 A 
BRANCH  19  22
ATOM     22  N   LIG    1       -6.846  -1.051   2.931  0.00  0.00    +0.056 N 
ATOM     23  O   LIG    1       -6.960  -0.328   3.930  0.00  0.00    -0.126 OA
ATOM     24  O   LIG    1       -7.331  -2.188   2.828  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        4.508  -1.234   0.956  0.00  0.00    +0.159 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.399  -0.027   0.810  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1        5.463   0.926   1.833  0.00  0.00    +0.131 A 
ATOM     28  F   LIG    1        4.726   0.763   2.942  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1        6.279   2.047   1.736  0.00  0.00    +0.077 A 
ATOM     30  C   LIG    1        7.048   2.219   0.595  0.00  0.00    +0.126 A 
ATOM     31  F   LIG    1        7.839   3.294   0.488  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1        7.014   1.289  -0.439  0.00  0.00    +0.039 A 
ATOM     33  C   LIG    1        6.193   0.165  -0.333  0.00  0.00    +0.011 A 
ENDBRANCH  25  26
ENDBRANCH   6  25
TORSDOF 6