REMARK  Name = BDB023166
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.397  -2.360   0.359  0.00  0.00    -0.265 OA
ATOM      2  C   LIG    1       -1.101  -1.388   1.038  0.00  0.00    +0.298 C 
ATOM      3  N   LIG    1       -2.000  -0.802   1.934  0.00  0.00    -0.179 N 
ATOM      4  H   LIG    1       -1.817   0.082   2.393  0.00  0.00    +0.177 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.175  -0.701   0.974  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.059  -1.094   0.000  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.175  -0.327   0.116  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        2.031   0.570   1.160  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        3.094   1.444   1.417  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        4.249   1.387   0.631  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        4.374   0.460  -0.415  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        3.013   2.340   2.410  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        3.309  -0.416  -0.691  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        0.744   0.327   1.711  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        5.545   0.428  -1.205  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        6.863   0.853  -0.825  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        7.371   0.085  -2.050  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        6.049  -0.684  -1.964  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   2   5
BRANCH   3  19
ATOM     19  S   LIG    1       -3.522  -1.385   2.235  0.00  0.00    +0.075 S 
ATOM     20  O   LIG    1       -4.182  -0.378   3.039  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -3.381  -2.736   2.735  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -4.338  -1.424   0.658  0.00  0.00    +0.116 A 
ATOM     23  C   LIG    1       -4.384  -0.306  -0.194  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -5.044  -0.433  -1.428  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1       -5.644  -1.637  -1.804  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -5.592  -2.736  -0.954  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -4.941  -2.633   0.274  0.00  0.00    +0.029 A 
BRANCH  23  28
ATOM     28  C   LIG    1       -3.782   1.002   0.082  0.00  0.00    +0.014 C 
ATOM     29  C   LIG    1       -4.321   1.877   0.946  0.00  0.00    +0.085 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -3.776   3.228   1.256  0.00  0.00    +0.411 C 
ATOM     31  F   LIG    1       -4.691   4.199   1.033  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1       -2.683   3.526   0.509  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1       -3.397   3.317   2.553  0.00  0.00    -0.166 F 
ENDBRANCH  29  30
ENDBRANCH  23  28
ENDBRANCH  19  22
ENDBRANCH   3  19
TORSDOF 6