REMARK  Name = BDB050617
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.278  -0.862  -0.110  0.00  0.00    -0.028 C 
ATOM      2  C   LIG    1       -2.944   0.447  -0.003  0.00  0.00    -0.011 A 
ATOM      3  C   LIG    1       -1.972   1.466   0.047  0.00  0.00    -0.010 A 
ATOM      4  C   LIG    1       -2.325   2.804   0.146  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1       -3.684   3.119   0.195  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -4.647   2.103   0.148  0.00  0.00    +0.124 A 
ATOM      7  F   LIG    1       -5.944   2.434   0.195  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1       -0.676   0.782  -0.024  0.00  0.00    -0.016 C 
ATOM      9  C   LIG    1        0.521   1.388  -0.003  0.00  0.00    +0.016 C 
ATOM     10  C   LIG    1       -4.293   0.759   0.049  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1       -0.950  -0.642  -0.127  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1        1.808   0.690  -0.062  0.00  0.00    -0.024 A 
ATOM     13  C   LIG    1        2.588   0.768  -1.218  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1        3.819   0.108  -1.283  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1        4.288  -0.624  -0.188  0.00  0.00    +0.016 A 
ATOM     16  C   LIG    1        3.501  -0.711   0.965  0.00  0.00    +0.015 A 
ATOM     17  C   LIG    1        2.270  -0.051   1.030  0.00  0.00    +0.009 A 
BRANCH  15  18
ATOM     18  S   LIG    1        5.850  -1.471  -0.312  0.00  0.00    -0.016 S 
BRANCH  18  19
ATOM     19  C   LIG    1        6.778  -0.572   0.934  0.00  0.00    +0.448 C 
ATOM     20  F   LIG    1        8.076  -0.963   0.942  0.00  0.00    -0.160 F 
ATOM     21  F   LIG    1        6.766   0.764   0.710  0.00  0.00    -0.160 F 
ATOM     22  F   LIG    1        6.292  -0.784   2.180  0.00  0.00    -0.160 F 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   9  12
BRANCH   1  23
ATOM     23  C   LIG    1       -2.990  -2.165  -0.222  0.00  0.00    +0.156 C 
BRANCH  23  25
ATOM     24  O   LIG    1       -3.561  -2.047   2.160  0.00  0.00    -0.251 OA
ATOM     25  C   LIG    1       -3.614  -2.627   1.088  0.00  0.00    +0.309 C 
BRANCH  25  26
ATOM     26  O   LIG    1       -4.274  -3.806   0.949  0.00  0.00    -0.480 OA
ATOM     27  H   LIG    1       -4.244  -4.179   0.048  0.00  0.00    +0.295 HD
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   1  23
TORSDOF 6