REMARK  Name = BDB054671
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.827  -2.635   0.576  0.00  0.00    +0.059 A 
ATOM      2  C   LIG    1        1.847  -1.652  -0.497  0.00  0.00    +0.187 A 
ATOM      3  O   LIG    1        2.720  -1.586  -1.446  0.00  0.00    -0.287 OA
ATOM      4  C   LIG    1        0.795  -0.722  -0.433  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1       -0.176  -0.740   0.574  0.00  0.00    -0.009 A 
ATOM      6  C   LIG    1       -0.131  -1.709   1.582  0.00  0.00    +0.060 A 
ATOM      7  C   LIG    1        0.859  -2.705   1.649  0.00  0.00    +0.187 A 
ATOM      8  O   LIG    1        0.851  -3.565   2.607  0.00  0.00    -0.287 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -1.230   0.233   0.576  0.00  0.00    -0.001 C 
ATOM     10  C   LIG    1       -2.122   1.038   0.599  0.00  0.00    -0.001 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -3.190   1.987   0.632  0.00  0.00    -0.017 A 
ATOM     12  C   LIG    1       -2.919   3.335   0.865  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1       -3.962   4.264   0.904  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -5.290   3.853   0.703  0.00  0.00    +0.055 A 
ATOM     15  C   LIG    1       -5.552   2.492   0.472  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1       -4.507   1.566   0.436  0.00  0.00    +0.009 A 
BRANCH  14  17
ATOM     17  C   LIG    1       -6.427   4.840   0.753  0.00  0.00    +0.417 C 
ATOM     18  F   LIG    1       -7.301   4.697  -0.286  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1       -6.027   6.143   0.714  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -7.180   4.718   1.883  0.00  0.00    -0.166 F 
ENDBRANCH  14  17
ENDBRANCH  10  11
ENDBRANCH   5   9
BRANCH   1  21
ATOM     21  C   LIG    1        2.884  -3.619   0.553  0.00  0.00    +0.058 C 
BRANCH  21  23
ATOM     22  C   LIG    1        5.213  -5.062  -0.065  0.00  0.00    -0.048 C 
ATOM     23  C   LIG    1        4.113  -4.506   0.317  0.00  0.00    -0.030 C 
ATOM     24  C   LIG    1        5.732  -6.404   0.497  0.00  0.00    +0.026 C 
BRANCH  22  25
ATOM     25  C   LIG    1        6.038  -4.322  -0.944  0.00  0.00    +0.026 C 
BRANCH  25  26
ATOM     26  C   LIG    1        6.839  -3.407  -1.889  0.00  0.00    +0.030 C 
BRANCH  26  29
ATOM     27  C   LIG    1        8.271  -1.844  -5.092  0.00  0.00    +0.026 C 
ATOM     28  C   LIG    1        8.193  -1.567  -3.572  0.00  0.00    -0.048 C 
ATOM     29  C   LIG    1        7.580  -2.414  -2.807  0.00  0.00    -0.034 C 
ATOM     30  C   LIG    1        9.314  -0.685  -2.972  0.00  0.00    +0.026 C 
ENDBRANCH  26  29
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 8