REMARK  Name = BDB023332
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.303  -1.247   1.254  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -1.888  -2.170   1.301  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -1.462  -0.129   1.150  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -1.789   1.002   1.472  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.150  -0.468   0.625  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        0.820   0.504   0.653  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        1.953  -0.022   0.118  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        1.735  -1.334  -0.267  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        2.804  -2.025  -0.848  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        4.039  -1.389  -1.014  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        4.238  -0.062  -0.605  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        2.656  -3.296  -1.248  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        3.168   0.647  -0.032  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        0.382  -1.617   0.058  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        5.485   0.562  -0.790  0.00  0.00    -0.327 N 
ATOM     16  C   LIG    1        6.065   1.715  -0.160  0.00  0.00    +0.072 C 
ATOM     17  C   LIG    1        6.213   1.580   1.347  0.00  0.00    +0.028 C 
ATOM     18  C   LIG    1        7.331   1.414  -0.983  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        6.744   0.012  -1.185  0.00  0.00    +0.107 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  20
ATOM     20  S   LIG    1       -3.837  -1.253   1.886  0.00  0.00    +0.078 S 
ATOM     21  O   LIG    1       -4.157  -0.045   2.606  0.00  0.00    -0.150 OA
ATOM     22  O   LIG    1       -3.924  -2.542   2.549  0.00  0.00    -0.150 OA
BRANCH  20  24
ATOM     23  C   LIG    1       -4.944  -0.287  -0.461  0.00  0.00    +0.147 A 
ATOM     24  C   LIG    1       -4.863  -1.348   0.441  0.00  0.00    +0.150 A 
ATOM     25  C   LIG    1       -5.619  -2.510   0.224  0.00  0.00    +0.032 A 
ATOM     26  C   LIG    1       -6.428  -2.618  -0.907  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -6.483  -1.572  -1.825  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -5.738  -0.412  -1.607  0.00  0.00    +0.047 A 
BRANCH  23  29
ATOM     29  O   LIG    1       -4.197   0.843  -0.286  0.00  0.00    -0.490 OA
BRANCH  29  31
ATOM     30  C   LIG    1       -4.148   3.120   0.470  0.00  0.00    +0.048 C 
ATOM     31  C   LIG    1       -5.026   1.982  -0.014  0.00  0.00    +0.226 C 
ENDBRANCH  29  31
ENDBRANCH  23  29
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 6