REMARK  Name = BDB047509
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.779  -0.593   0.711  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1       -3.310  -0.538   1.055  0.00  0.00    -0.040 A 
ATOM      3  C   LIG    1       -2.637  -1.641   0.527  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -1.280  -1.826   0.744  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1       -0.575  -0.886   1.502  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -1.254   0.212   2.049  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -3.570  -2.562  -0.190  0.00  0.00    +0.036 C 
ATOM      8  C   LIG    1       -2.629   0.384   1.835  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -4.791  -1.660  -0.410  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -5.454   0.770   0.428  0.00  0.00    +0.105 C 
BRANCH  10  12
ATOM     11  C   LIG    1       -4.541   1.290  -1.966  0.00  0.00    +0.004 C 
ATOM     12  C   LIG    1       -4.771   1.759  -0.540  0.00  0.00    +0.012 C 
ENDBRANCH  10  12
BRANCH  10  13
ATOM     13  C   LIG    1       -6.924   0.604   0.067  0.00  0.00    +0.308 C 
ATOM     14  O   LIG    1       -7.410  -0.364  -0.496  0.00  0.00    -0.251 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -7.683   1.667   0.426  0.00  0.00    -0.480 OA
ATOM     16  H   LIG    1       -7.193   2.390   0.859  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   1  10
BRANCH   5  17
ATOM     17  O   LIG    1        0.758  -1.160   1.631  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.593  -0.257   2.361  0.00  0.00    +0.235 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.037   0.933   1.508  0.00  0.00    +0.100 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.029   0.550   0.469  0.00  0.00    +0.086 A 
ATOM     21  C   LIG    1        2.829   0.028  -0.791  0.00  0.00    +0.126 A 
ATOM     22  C   LIG    1        1.651  -0.358  -1.587  0.00  0.00    +0.088 C 
ATOM     23  O   LIG    1        4.054  -0.158  -1.366  0.00  0.00    -0.440 OA
ATOM     24  C   LIG    1        4.947   0.267  -0.420  0.00  0.00    +0.230 A 
ATOM     25  N   LIG    1        4.380   0.701   0.693  0.00  0.00    -0.214 NA
BRANCH  24  26
ATOM     26  C   LIG    1        6.367   0.189  -0.747  0.00  0.00    +0.072 A 
ATOM     27  C   LIG    1        6.843  -0.274  -1.978  0.00  0.00    +0.136 A 
ATOM     28  F   LIG    1        6.003  -0.678  -2.943  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1        8.211  -0.334  -2.251  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1        9.133   0.074  -1.290  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1        8.684   0.540  -0.058  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        7.312   0.597   0.211  0.00  0.00    +0.016 A 
ENDBRANCH  24  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 9