REMARK  Name = BDB046470
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.442  -0.473   1.487  0.00  0.00    +0.020 A 
ATOM      2  C   LIG    1       -1.053   0.249   0.444  0.00  0.00    +0.136 A 
ATOM      3  C   LIG    1       -1.746  -0.406  -0.593  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -1.851  -1.809  -0.528  0.00  0.00    +0.016 A 
ATOM      5  C   LIG    1       -1.275  -2.552   0.516  0.00  0.00    -0.043 A 
ATOM      6  C   LIG    1       -0.566  -1.869   1.514  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.338   0.312  -1.737  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1       -3.711   0.215  -2.019  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -4.272   0.897  -3.102  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -3.468   1.684  -3.922  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -2.105   1.791  -3.662  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -1.545   1.110  -2.578  0.00  0.00    +0.008 A 
ENDBRANCH   3   7
BRANCH   1  14
ATOM     13  C   LIG    1       -0.353   0.271   3.889  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1        0.338   0.191   2.555  0.00  0.00    -0.040 C 
ATOM     15  C   LIG    1        1.578   0.688   2.368  0.00  0.00    +0.004 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.346   0.649   1.138  0.00  0.00    +0.001 C 
ATOM     17  C   LIG    1        3.573   1.186   1.029  0.00  0.00    +0.003 C 
BRANCH  17  18
ATOM     18  C   LIG    1        4.415   1.198  -0.174  0.00  0.00    -0.044 C 
ATOM     19  C   LIG    1        5.642   1.752  -0.080  0.00  0.00    +0.094 C 
ATOM     20  C   LIG    1        3.833   0.593  -1.428  0.00  0.00    +0.044 C 
BRANCH  19  21
ATOM     21  C   LIG    1        6.657   1.859  -1.144  0.00  0.00    +0.330 C 
ATOM     22  O   LIG    1        6.638   1.417  -2.274  0.00  0.00    -0.246 OA
BRANCH  21  23
ATOM     23  O   LIG    1        7.710   2.560  -0.685  0.00  0.00    -0.478 OA
ATOM     24  H   LIG    1        8.323   2.576  -1.450  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH  17  18
ENDBRANCH  15  16
ENDBRANCH   1  14
BRANCH   5  25
ATOM     25  C   LIG    1       -1.382  -4.066   0.571  0.00  0.00    +0.013 C 
ATOM     26  C   LIG    1       -0.666  -4.721  -0.613  0.00  0.00    +0.012 C 
ATOM     27  C   LIG    1       -2.840  -4.527   0.650  0.00  0.00    +0.012 C 
ENDBRANCH   5  25
BRANCH   2  28
ATOM     28  O   LIG    1       -0.909   1.619   0.425  0.00  0.00    -0.485 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -2.068   2.262   0.980  0.00  0.00    +0.300 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -1.652   3.587   1.596  0.00  0.00    +0.378 C 
ATOM     31  F   LIG    1       -1.198   3.389   2.862  0.00  0.00    -0.206 F 
ATOM     32  F   LIG    1       -2.736   4.400   1.706  0.00  0.00    -0.206 F 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   2  28
TORSDOF 10