REMARK  Name = BDB050596
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.368   0.935   1.095  0.00  0.00    +0.016 C 
ATOM      2  C   LIG    1       -0.822   0.642   0.549  0.00  0.00    -0.016 C 
ATOM      3  C   LIG    1       -2.121   1.086   1.067  0.00  0.00    -0.010 A 
ATOM      4  C   LIG    1       -3.084   0.551   0.188  0.00  0.00    -0.011 A 
ATOM      5  C   LIG    1       -4.433   0.787   0.394  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -4.797   1.565   1.491  0.00  0.00    +0.124 A 
ATOM      7  C   LIG    1       -3.844   2.098   2.368  0.00  0.00    +0.039 A 
ATOM      8  F   LIG    1       -6.096   1.811   1.714  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1       -2.410  -0.221  -0.869  0.00  0.00    -0.028 C 
ATOM     10  C   LIG    1       -2.484   1.859   2.159  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1       -1.084  -0.147  -0.643  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   1  15
ATOM     12  C   LIG    1        4.148  -0.363  -0.418  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        3.778   0.984  -0.496  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1        2.541   1.403   0.002  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        1.661   0.479   0.574  0.00  0.00    -0.024 A 
ATOM     16  C   LIG    1        2.031  -0.867   0.650  0.00  0.00    +0.009 A 
ATOM     17  C   LIG    1        3.268  -1.288   0.152  0.00  0.00    +0.017 A 
BRANCH  12  19
ATOM     18  C   LIG    1        6.756  -0.315   0.320  0.00  0.00    +0.112 C 
ATOM     19  S   LIG    1        5.748  -0.891  -1.071  0.00  0.00    -0.015 S 
ATOM     20  O   LIG    1        5.766  -2.550  -1.035  0.00  0.00    -0.157 OA
ENDBRANCH  12  19
ENDBRANCH   1  15
BRANCH   9  21
ATOM     21  C   LIG    1       -3.110  -0.910  -1.989  0.00  0.00    +0.156 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.813  -2.176  -1.543  0.00  0.00    +0.309 C 
ATOM     23  O   LIG    1       -3.800  -2.708  -0.447  0.00  0.00    -0.251 OA
BRANCH  22  24
ATOM     24  O   LIG    1       -4.520  -2.732  -2.552  0.00  0.00    -0.480 OA
ATOM     25  H   LIG    1       -4.909  -3.536  -2.147  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH   9  21
TORSDOF 5