REMARK  Name = BDB015585
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.529   0.354   0.454  0.00  0.00    +0.081 A 
ATOM      2  N   LIG    1        0.316  -0.375  -0.306  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1        1.350   0.266  -0.877  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1        1.585   1.578  -0.795  0.00  0.00    -0.176 NA
ATOM      5  C   LIG    1        0.724   2.252  -0.013  0.00  0.00    +0.184 A 
ATOM      6  C   LIG    1       -0.354   1.705   0.644  0.00  0.00    +0.076 A 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1       -2.275  -3.884   2.632  0.00  0.00    +0.049 C 
ATOM      8  C   LIG    1       -2.433  -2.482   2.135  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -3.786  -1.859   2.284  0.00  0.00    +0.254 A 
ATOM     10  O   LIG    1       -4.701  -2.493   2.806  0.00  0.00    -0.267 OA
ATOM     11  N   LIG    1       -3.912  -0.558   1.797  0.00  0.00    -0.317 N 
ATOM     12  C   LIG    1       -5.202   0.109   1.889  0.00  0.00    +0.152 C 
ATOM     13  C   LIG    1       -2.856   0.128   1.217  0.00  0.00    +0.098 A 
ATOM     14  C   LIG    1       -1.628  -0.410   1.096  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1       -1.442  -1.774   1.570  0.00  0.00    +0.020 A 
ENDBRANCH   1  14
BRANCH   5  16
ATOM     16  S   LIG    1        1.031   3.998   0.128  0.00  0.00    +0.016 S 
ATOM     17  O   LIG    1        1.955   4.167   1.235  0.00  0.00    -0.168 OA
ATOM     18  O   LIG    1       -0.282   4.624   0.188  0.00  0.00    -0.168 OA
BRANCH  16  19
ATOM     19  C   LIG    1        1.810   4.571  -1.377  0.00  0.00    +0.132 C 
ATOM     20  C   LIG    1        3.275   4.163  -1.495  0.00  0.00    +0.032 C 
ATOM     21  C   LIG    1        1.016   4.211  -2.628  0.00  0.00    +0.032 C 
ENDBRANCH  16  19
ENDBRANCH   5  16
BRANCH   3  22
ATOM     22  O   LIG    1        2.218  -0.437  -1.702  0.00  0.00    -0.421 OA
BRANCH  22  23
ATOM     23  C   LIG    1        2.294  -1.790  -1.484  0.00  0.00    +0.167 A 
ATOM     24  C   LIG    1        2.738  -2.320  -0.268  0.00  0.00    +0.168 A 
ATOM     25  F   LIG    1        3.085  -1.506   0.739  0.00  0.00    -0.202 F 
ATOM     26  C   LIG    1        2.836  -3.694  -0.086  0.00  0.00    +0.080 A 
ATOM     27  C   LIG    1        2.499  -4.534  -1.139  0.00  0.00    +0.126 A 
ATOM     28  F   LIG    1        2.590  -5.861  -0.977  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1        2.078  -4.024  -2.366  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1        1.982  -2.643  -2.544  0.00  0.00    +0.052 A 
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 5