REMARK  Name = BDB056768
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.046  -2.043  -0.757  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1        0.073  -0.750  -1.397  0.00  0.00    -0.328 N 
ATOM      3  C   LIG    1        1.143   0.116  -1.424  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        0.676   1.207  -2.150  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1        1.520   2.303  -2.376  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1        2.820   2.268  -1.860  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1        3.274   1.168  -1.127  0.00  0.00    +0.131 A 
ATOM      8  N   LIG    1       -0.619   1.014  -2.553  0.00  0.00    -0.229 NA
ATOM      9  C   LIG    1        2.443   0.059  -0.900  0.00  0.00    +0.074 A 
ATOM     10  C   LIG    1       -0.976  -0.163  -2.075  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   7  11
ATOM     11  O   LIG    1        4.592   1.247  -0.718  0.00  0.00    -0.453 OA
BRANCH  11  12
ATOM     12  C   LIG    1        4.976   0.507   0.373  0.00  0.00    +0.166 A 
ATOM     13  C   LIG    1        4.497   0.773   1.656  0.00  0.00    +0.200 A 
ATOM     14  F   LIG    1        3.604   1.753   1.862  0.00  0.00    -0.199 F 
ATOM     15  C   LIG    1        4.955   0.020   2.729  0.00  0.00    +0.162 A 
ATOM     16  F   LIG    1        4.495   0.258   3.965  0.00  0.00    -0.202 F 
ATOM     17  C   LIG    1        5.899  -0.989   2.541  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        6.398  -1.239   1.261  0.00  0.00    +0.007 A 
ATOM     19  C   LIG    1        5.941  -0.485   0.176  0.00  0.00    +0.049 A 
ENDBRANCH  11  12
ENDBRANCH   7  11
BRANCH  10  20
ATOM     20  C   LIG    1       -2.319  -0.791  -2.268  0.00  0.00    +0.303 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -2.832  -1.235  -1.007  0.00  0.00    -0.484 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -3.655  -0.378  -0.328  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1       -4.516  -0.990   0.586  0.00  0.00    +0.060 A 
ATOM     24  C   LIG    1       -5.402  -0.222   1.352  0.00  0.00    +0.062 A 
ATOM     25  C   LIG    1       -5.416   1.169   1.207  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1       -4.535   1.784   0.315  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -3.656   1.013  -0.450  0.00  0.00    +0.046 A 
BRANCH  24  28
ATOM     28  C   LIG    1       -6.306  -0.924   2.294  0.00  0.00    +0.337 C 
ATOM     29  O   LIG    1       -6.367  -2.129   2.461  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -7.090  -0.084   2.994  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1       -7.616  -0.678   3.571  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  24  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  10  20
TORSDOF 7