REMARK  Name = BDB056756
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.446  -2.363  -0.156  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1        0.261  -0.952  -0.388  0.00  0.00    -0.328 N 
ATOM      3  C   LIG    1        1.271  -0.052  -0.652  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        0.614   1.166  -0.787  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1        1.351   2.328  -1.058  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1        2.743   2.229  -1.181  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1        3.389   0.999  -1.031  0.00  0.00    +0.131 A 
ATOM      8  N   LIG    1       -0.738   1.014  -0.626  0.00  0.00    -0.229 NA
ATOM      9  C   LIG    1        2.663  -0.177  -0.781  0.00  0.00    +0.074 A 
ATOM     10  C   LIG    1       -0.936  -0.262  -0.343  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   7  11
ATOM     11  O   LIG    1        4.756   1.019  -1.220  0.00  0.00    -0.450 OA
BRANCH  11  12
ATOM     12  C   LIG    1        5.517   0.144  -0.487  0.00  0.00    +0.198 A 
ATOM     13  C   LIG    1        5.538   0.141   0.908  0.00  0.00    +0.168 A 
ATOM     14  F   LIG    1        4.775   0.993   1.609  0.00  0.00    -0.202 F 
ATOM     15  C   LIG    1        6.363  -0.742   1.607  0.00  0.00    +0.042 A 
ATOM     16  C   LIG    1        7.194  -1.621   0.910  0.00  0.00    +0.006 A 
ATOM     17  C   LIG    1        7.197  -1.607  -0.485  0.00  0.00    +0.042 A 
ATOM     18  C   LIG    1        6.366  -0.721  -1.172  0.00  0.00    +0.168 A 
ATOM     19  F   LIG    1        6.391  -0.725  -2.513  0.00  0.00    -0.202 F 
ENDBRANCH  11  12
ENDBRANCH   7  11
BRANCH  10  20
ATOM     20  C   LIG    1       -2.266  -0.889  -0.054  0.00  0.00    +0.303 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -2.834  -0.219   1.083  0.00  0.00    -0.484 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -4.011   0.399   0.759  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1       -5.213  -0.217   1.101  0.00  0.00    +0.060 A 
ATOM     24  C   LIG    1       -6.425   0.415   0.788  0.00  0.00    +0.062 A 
ATOM     25  C   LIG    1       -6.416   1.672   0.165  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1       -5.202   2.294  -0.139  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -3.997   1.656   0.154  0.00  0.00    +0.046 A 
BRANCH  24  28
ATOM     28  C   LIG    1       -7.687  -0.279   1.141  0.00  0.00    +0.337 C 
ATOM     29  O   LIG    1       -7.779  -1.370   1.676  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -8.783   0.430   0.813  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1       -9.527  -0.139   1.101  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  24  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  10  20
TORSDOF 7