REMARK  Name = BDB057679
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.715  -0.298   1.295  0.00  0.00    -0.218 N 
ATOM      2  C   LIG    1       -0.778  -1.156   0.777  0.00  0.00    +0.261 C 
ATOM      3  O   LIG    1       -0.954  -2.340   0.526  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1        0.505  -0.435   0.561  0.00  0.00    +0.080 C 
ATOM      5  C   LIG    1        1.590  -1.058   0.081  0.00  0.00    +0.028 C 
ATOM      6  S   LIG    1        0.341   1.212   1.032  0.00  0.00    -0.026 S 
ATOM      7  C   LIG    1       -1.346   1.007   1.461  0.00  0.00    +0.286 C 
ATOM      8  O   LIG    1       -2.052   1.922   1.853  0.00  0.00    -0.262 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        2.900  -0.446  -0.162  0.00  0.00    -0.024 A 
ATOM     10  C   LIG    1        3.071   0.542  -1.137  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        4.332   1.102  -1.362  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        5.443   0.681  -0.616  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1        5.269  -0.325   0.346  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        4.007  -0.884   0.571  0.00  0.00    +0.008 A 
BRANCH  12  15
ATOM     15  C   LIG    1        6.809   1.268  -0.874  0.00  0.00    +0.417 C 
ATOM     16  F   LIG    1        7.598   1.292   0.237  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1        6.765   2.553  -1.324  0.00  0.00    -0.166 F 
ATOM     18  F   LIG    1        7.505   0.567  -1.811  0.00  0.00    -0.166 F 
ENDBRANCH  12  15
ENDBRANCH   5   9
BRANCH   1  19
ATOM     19  C   LIG    1       -3.086  -0.718   1.507  0.00  0.00    +0.238 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.876  -0.503   0.226  0.00  0.00    +0.325 C 
ATOM     21  O   LIG    1       -3.420  -0.053  -0.818  0.00  0.00    -0.249 OA
BRANCH  20  22
ATOM     22  O   LIG    1       -5.171  -0.885   0.420  0.00  0.00    -0.464 OA
BRANCH  22  24
ATOM     23  C   LIG    1       -6.617   0.666  -0.751  0.00  0.00    +0.048 C 
ATOM     24  C   LIG    1       -6.043  -0.738  -0.712  0.00  0.00    +0.229 C 
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 6