REMARK  Name = BDB008852
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.807   0.135  -0.021  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        1.100   0.617  -1.294  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        2.123   1.460  -1.495  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        0.338   0.221  -2.389  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -0.743  -0.645  -2.207  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -1.083  -1.106  -0.926  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -0.291  -0.716   0.166  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  14
ATOM      8  C   LIG    1        8.016  -0.195   0.308  0.00  0.00    +0.109 C 
ATOM      9  C   LIG    1        7.225   0.625   1.296  0.00  0.00    +0.213 C 
ATOM     10  N   LIG    1        5.839   0.559   1.209  0.00  0.00    -0.299 N 
ATOM     11  C   LIG    1        5.128   0.058   0.027  0.00  0.00    +0.126 C 
ATOM     12  C   LIG    1        3.723  -0.459   0.363  0.00  0.00    +0.127 C 
ATOM     13  N   LIG    1        2.958   0.502   1.165  0.00  0.00    -0.294 N 
ATOM     14  C   LIG    1        1.567   0.575   1.164  0.00  0.00    +0.249 C 
ATOM     15  O   LIG    1        0.913   0.993   2.119  0.00  0.00    -0.270 OA
ATOM     16  C   LIG    1        3.658   0.971   2.364  0.00  0.00    +0.127 C 
ATOM     17  C   LIG    1        5.068   1.484   2.049  0.00  0.00    +0.126 C 
ATOM     18  O   LIG    1        7.807   1.301   2.144  0.00  0.00    -0.276 OA
ENDBRANCH   1  14
BRANCH   6  19
ATOM     19  C   LIG    1       -2.260  -2.034  -0.716  0.00  0.00    +0.092 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.559  -1.524  -1.335  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1       -4.416  -0.562  -0.573  0.00  0.00    -0.016 A 
ATOM     22  C   LIG    1       -4.003  -0.065   0.784  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1       -4.831   1.126   1.277  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -6.313   0.926   0.986  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -6.556   0.746  -0.513  0.00  0.00    +0.041 C 
ATOM     26  C   LIG    1       -5.561  -0.177  -1.162  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -5.906  -0.673  -2.517  0.00  0.00    +0.268 A 
ATOM     28  O   LIG    1       -6.934  -0.329  -3.092  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1       -5.007  -1.534  -3.086  0.00  0.00    -0.243 N 
ATOM     30  H   LIG    1       -5.229  -1.889  -4.010  0.00  0.00    +0.192 HD
ATOM     31  N   LIG    1       -3.851  -1.972  -2.521  0.00  0.00    -0.175 NA
ENDBRANCH  19  20
ENDBRANCH   6  19
TORSDOF 3