REMARK  Name = BDB023333
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.138   1.230  -0.822  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -0.318   0.497  -0.146  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        1.162   1.428  -1.309  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1        1.407   2.150  -2.264  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        2.168   0.687  -0.567  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        3.469   0.776  -0.999  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        4.234   0.009  -0.178  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        3.446  -0.584   0.793  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        4.080  -1.409   1.729  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        5.462  -1.613   1.657  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        6.236  -1.008   0.655  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        3.373  -2.009   2.697  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        5.614  -0.166  -0.283  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        2.119  -0.144   0.542  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        7.633  -1.216   0.608  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        8.492  -1.086  -0.535  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        9.545  -1.847   0.276  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        8.363  -2.346   1.113  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -1.474   1.693  -1.699  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1       -1.504   0.949  -2.938  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -1.557   3.137  -1.655  0.00  0.00    -0.150 OA
BRANCH  19  24
ATOM     22  C   LIG    1       -5.062   1.447   0.207  0.00  0.00    -0.040 A 
ATOM     23  C   LIG    1       -3.961   1.889  -0.548  0.00  0.00    +0.036 A 
ATOM     24  C   LIG    1       -2.832   1.073  -0.730  0.00  0.00    +0.150 A 
ATOM     25  C   LIG    1       -2.785  -0.197  -0.163  0.00  0.00    +0.147 A 
ATOM     26  C   LIG    1       -3.856  -0.652   0.601  0.00  0.00    +0.048 A 
ATOM     27  C   LIG    1       -4.981   0.159   0.776  0.00  0.00    +0.008 A 
BRANCH  22  29
ATOM     28  C   LIG    1       -6.519   2.561   1.935  0.00  0.00    +0.015 C 
ATOM     29  C   LIG    1       -6.319   2.309   0.425  0.00  0.00    -0.013 C 
ATOM     30  C   LIG    1       -6.257   3.691  -0.264  0.00  0.00    +0.015 C 
ATOM     31  C   LIG    1       -7.556   1.575  -0.136  0.00  0.00    +0.015 C 
ENDBRANCH  22  29
BRANCH  25  32
ATOM     32  O   LIG    1       -1.671  -0.987  -0.267  0.00  0.00    -0.487 OA
BRANCH  32  33
ATOM     33  C   LIG    1       -1.826  -1.993  -1.294  0.00  0.00    +0.174 C 
ATOM     34  C   LIG    1       -0.643  -2.910  -1.454  0.00  0.00    +0.048 C 
ATOM     35  C   LIG    1       -1.905  -3.417  -0.818  0.00  0.00    +0.048 C 
ENDBRANCH  32  33
ENDBRANCH  25  32
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 7