REMARK  Name = BDB023146
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.257   2.285  -0.485  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -0.540   2.302   0.237  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -1.129   1.409  -1.562  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -2.013   1.215  -2.384  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.144   0.725  -1.562  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.022   0.935  -0.527  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.120   0.166  -0.765  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        1.963  -0.544  -1.946  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        3.005  -1.393  -2.335  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        4.154  -1.497  -1.544  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        4.292  -0.759  -0.358  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        2.912  -2.115  -3.460  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        3.248   0.089   0.052  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        0.689  -0.181  -2.453  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        5.454  -0.890   0.434  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        5.980   0.065   1.370  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        7.279  -0.746   1.336  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        6.765  -1.285  -0.002  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.635   3.107  -0.095  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1       -2.986   3.945  -1.222  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.412   3.694   1.210  0.00  0.00    -0.150 OA
BRANCH  19  26
ATOM     22  C   LIG    1       -6.986  -1.083   0.521  0.00  0.00    +0.044 C 
ATOM     23  C   LIG    1       -5.905  -0.049   0.380  0.00  0.00    -0.047 A 
ATOM     24  C   LIG    1       -4.704  -0.178   1.098  0.00  0.00    +0.051 A 
ATOM     25  C   LIG    1       -3.671   0.760   0.958  0.00  0.00    +0.154 A 
ATOM     26  C   LIG    1       -3.874   1.848   0.095  0.00  0.00    +0.150 A 
ATOM     27  C   LIG    1       -5.060   1.974  -0.640  0.00  0.00    +0.033 A 
ATOM     28  C   LIG    1       -6.067   1.021  -0.503  0.00  0.00    +0.005 A 
BRANCH  25  29
ATOM     29  O   LIG    1       -2.473   0.687   1.612  0.00  0.00    -0.432 OA
BRANCH  29  30
ATOM     30  C   LIG    1       -2.163  -0.515   2.297  0.00  0.00    +0.541 C 
ATOM     31  F   LIG    1       -0.866  -0.428   2.684  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1       -2.906  -0.589   3.427  0.00  0.00    -0.166 F 
ENDBRANCH  29  30
ENDBRANCH  25  29
ENDBRANCH  19  26
ENDBRANCH   1  19
TORSDOF 6