REMARK  Name = BDB056715
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.851  -0.702  -1.267  0.00  0.00    +0.132 A 
ATOM      2  C   LIG    1       -2.010  -0.971  -0.178  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1       -0.712  -1.409  -0.472  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -0.262  -1.595  -1.776  0.00  0.00    +0.090 A 
ATOM      5  N   LIG    1        1.040  -2.024  -1.791  0.00  0.00    -0.229 NA
ATOM      6  C   LIG    1        1.411  -2.098  -0.526  0.00  0.00    +0.148 A 
ATOM      7  C   LIG    1       -1.128  -1.345  -2.851  0.00  0.00    +0.033 A 
ATOM      8  N   LIG    1        0.371  -1.744   0.308  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1        0.412  -1.706   1.751  0.00  0.00    +0.150 C 
ATOM     10  C   LIG    1       -2.430  -0.905  -2.583  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1       -4.163  -0.327  -1.082  0.00  0.00    -0.438 OA
BRANCH  11  14
ATOM     12  C   LIG    1       -6.787   0.021  -0.149  0.00  0.00    +0.049 C 
ATOM     13  C   LIG    1       -5.714   1.039   0.089  0.00  0.00    +0.014 A 
ATOM     14  C   LIG    1       -4.405   0.843  -0.367  0.00  0.00    +0.224 A 
ATOM     15  N   LIG    1       -3.404   1.741  -0.191  0.00  0.00    -0.218 NA
ATOM     16  C   LIG    1       -3.712   2.873   0.481  0.00  0.00    +0.153 A 
ATOM     17  C   LIG    1       -4.972   3.147   0.978  0.00  0.00    +0.142 A 
ATOM     18  F   LIG    1       -5.213   4.286   1.639  0.00  0.00    -0.204 F 
ATOM     19  C   LIG    1       -5.988   2.223   0.783  0.00  0.00    +0.048 A 
ENDBRANCH  11  14
ENDBRANCH   1  11
BRANCH   6  20
ATOM     20  C   LIG    1        2.767  -2.515  -0.054  0.00  0.00    +0.303 C 
BRANCH  20  21
ATOM     21  O   LIG    1        3.286  -1.538   0.854  0.00  0.00    -0.484 OA
BRANCH  21  22
ATOM     22  C   LIG    1        3.992  -0.486   0.338  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1        4.727   0.238   1.280  0.00  0.00    +0.060 A 
ATOM     24  C   LIG    1        5.489   1.347   0.891  0.00  0.00    +0.062 A 
ATOM     25  C   LIG    1        5.508   1.738  -0.451  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1        4.762   1.025  -1.391  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        4.005  -0.083  -0.998  0.00  0.00    +0.046 A 
BRANCH  24  28
ATOM     28  C   LIG    1        6.255   2.072   1.933  0.00  0.00    +0.337 C 
ATOM     29  O   LIG    1        6.265   1.813   3.123  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1        6.981   3.089   1.435  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1        7.426   3.466   2.223  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  24  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 7