REMARK  Name = BDB051769
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.490   0.704  -1.738  0.00  0.00    +0.047 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.025   0.566  -1.859  0.00  0.00    +0.047 C 
BRANCH   2   3
ATOM      3  C   LIG    1        1.509  -0.878  -1.769  0.00  0.00    +0.263 C 
BRANCH   3   4
ATOM      4  O   LIG    1        2.922  -0.929  -1.982  0.00  0.00    -0.394 OA
BRANCH   4   7
ATOM      5  C   LIG    1        5.553  -0.941  -2.239  0.00  0.00    +0.069 C 
ATOM      6  C   LIG    1        4.869  -0.651  -0.917  0.00  0.00    +0.084 C 
ATOM      7  N   LIG    1        3.576  -0.650  -0.772  0.00  0.00    -0.089 NA
BRANCH   6   8
ATOM      8  C   LIG    1        5.720  -0.345   0.271  0.00  0.00    -0.001 A 
ATOM      9  C   LIG    1        6.971   0.266   0.137  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        7.741   0.546   1.271  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        7.273   0.220   2.554  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1        6.008  -0.373   2.681  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1        5.238  -0.653   1.549  0.00  0.00    +0.010 A 
BRANCH  11  14
ATOM     14  C   LIG    1        8.095   0.543   3.779  0.00  0.00    +0.417 C 
ATOM     15  F   LIG    1        7.818   1.779   4.277  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1        9.436   0.528   3.539  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1        7.892  -0.330   4.804  0.00  0.00    -0.166 F 
ENDBRANCH  11  14
ENDBRANCH   6   8
ENDBRANCH   4   7
ENDBRANCH   3   4
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1       -1.018   0.360  -0.348  0.00  0.00    +0.263 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -2.426   0.600  -0.294  0.00  0.00    -0.394 OA
BRANCH  19  20
ATOM     20  N   LIG    1       -3.101  -0.522  -0.797  0.00  0.00    -0.089 NA
ATOM     21  C   LIG    1       -4.389  -0.343  -0.832  0.00  0.00    +0.088 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -5.110   0.855  -0.334  0.00  0.00    -0.001 A 
ATOM     23  C   LIG    1       -5.929   1.587  -1.197  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1       -6.630   2.691  -0.710  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -6.513   3.058   0.632  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -5.694   2.325   1.492  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -4.992   1.220   1.011  0.00  0.00    +0.010 A 
ENDBRANCH  21  22
BRANCH  21  28
ATOM     28  C   LIG    1       -5.238  -1.477  -1.386  0.00  0.00    +0.070 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -5.504  -2.511  -0.299  0.00  0.00    +0.127 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -6.690  -2.117   0.537  0.00  0.00    +0.305 C 
ATOM     31  O   LIG    1       -7.756  -1.688   0.131  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -6.484  -2.305   1.853  0.00  0.00    -0.481 OA
ATOM     33  H   LIG    1       -7.322  -2.014   2.269  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  21  28
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 14