REMARK  Name = BDB057183
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.309  -0.420   0.016  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        3.114  -1.452  -0.408  0.00  0.00    -0.337 N 
ATOM      3  H   LIG    1        2.798  -2.376  -0.660  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        4.410  -1.005  -0.478  0.00  0.00    +0.070 A 
ATOM      5  C   LIG    1        4.346   0.329  -0.074  0.00  0.00    +0.104 A 
ATOM      6  C   LIG    1        5.538   1.081  -0.041  0.00  0.00    +0.089 A 
ATOM      7  C   LIG    1        6.741   0.466  -0.436  0.00  0.00    +0.055 A 
ATOM      8  C   LIG    1        6.753  -0.865  -0.831  0.00  0.00    +0.126 A 
ATOM      9  F   LIG    1        7.913  -1.427  -1.195  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1        5.594  -1.640  -0.861  0.00  0.00    +0.066 A 
ATOM     11  N   LIG    1        3.039   0.663   0.203  0.00  0.00    -0.226 NA
ENDROOT
BRANCH   1  16
ATOM     12  C   LIG    1       -2.963   0.124   0.521  0.00  0.00    +0.073 C 
ATOM     13  C   LIG    1       -1.674  -0.482  -0.113  0.00  0.00    +0.076 C 
ATOM     14  C   LIG    1       -1.159  -1.742   0.629  0.00  0.00    +0.029 C 
ATOM     15  C   LIG    1        0.341  -1.784   0.503  0.00  0.00    -0.004 C 
ATOM     16  C   LIG    1        0.914  -0.628   0.143  0.00  0.00    +0.047 C 
ATOM     17  C   LIG    1       -1.592  -1.739   2.095  0.00  0.00    +0.024 C 
ATOM     18  C   LIG    1       -3.111  -1.652   2.218  0.00  0.00    +0.082 C 
ATOM     19  S   LIG    1       -0.222   0.659  -0.086  0.00  0.00    -0.116 S 
ATOM     20  N   LIG    1       -3.765  -0.979   1.097  0.00  0.00    -0.312 NA
ATOM     21  H   LIG    1       -4.677  -0.647   1.406  0.00  0.00    +0.122 HD
BRANCH  12  23
ATOM     22  C   LIG    1       -4.494   0.117  -1.581  0.00  0.00    +0.012 C 
ATOM     23  C   LIG    1       -3.857   0.981  -0.470  0.00  0.00    -0.021 C 
ATOM     24  C   LIG    1       -5.003   1.674   0.311  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1       -3.049   2.104  -1.151  0.00  0.00    +0.012 C 
ENDBRANCH  12  23
ENDBRANCH   1  16
BRANCH   6  26
ATOM     26  C   LIG    1        5.588   2.491   0.372  0.00  0.00    +0.339 C 
ATOM     27  O   LIG    1        6.481   3.267   0.078  0.00  0.00    -0.245 OA
BRANCH  26  28
ATOM     28  O   LIG    1        4.582   2.862   1.176  0.00  0.00    -0.477 OA
ATOM     29  H   LIG    1        4.729   3.812   1.351  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH   6  26
TORSDOF 4