REMARK  Name = BDB049508
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.786  -0.107  -0.622  0.00  0.00    -0.296 NA
ATOM      2  C   LIG    1       -1.655  -1.220  -1.562  0.00  0.00    +0.104 C 
ATOM      3  C   LIG    1       -0.200  -1.699  -1.350  0.00  0.00    +0.079 C 
ATOM      4  C   LIG    1        0.018  -1.440   0.176  0.00  0.00    +0.051 C 
ATOM      5  C   LIG    1       -1.216  -0.627   0.623  0.00  0.00    +0.094 C 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        1.323  -0.720   0.495  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        1.586   0.571   0.003  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1        2.777   1.226   0.317  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1        3.720   0.587   1.121  0.00  0.00    +0.088 A 
ATOM     10  C   LIG    1        3.473  -0.686   1.638  0.00  0.00    +0.027 A 
ATOM     11  C   LIG    1        2.277  -1.334   1.322  0.00  0.00    +0.006 A 
BRANCH   9  12
ATOM     12  S   LIG    1        5.234   1.423   1.527  0.00  0.00    -0.006 S 
ATOM     13  O   LIG    1        5.779   0.797   2.718  0.00  0.00    -0.170 OA
ATOM     14  O   LIG    1        4.972   2.849   1.491  0.00  0.00    -0.170 OA
ATOM     15  C   LIG    1        6.295   1.021   0.164  0.00  0.00    +0.200 C 
ENDBRANCH   9  12
ENDBRANCH   4   6
BRANCH   3  16
ATOM     16  N   LIG    1        0.029  -3.103  -1.788  0.00  0.00    -0.304 NA
ATOM     17  C   LIG    1        1.420  -3.512  -1.565  0.00  0.00    +0.104 C 
ATOM     18  C   LIG    1       -0.291  -3.275  -3.210  0.00  0.00    +0.104 C 
ENDBRANCH   3  16
BRANCH   1  19
ATOM     19  C   LIG    1       -3.167   0.364  -0.498  0.00  0.00    +0.122 C 
BRANCH  19  22
ATOM     20  C   LIG    1       -4.363   0.528   2.297  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1       -3.820   1.734   1.583  0.00  0.00    -0.043 A 
ATOM     22  C   LIG    1       -3.277   1.658   0.281  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -2.811   2.839  -0.320  0.00  0.00    +0.128 A 
ATOM     24  F   LIG    1       -2.314   2.807  -1.566  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1       -2.860   4.065   0.335  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1       -3.386   4.136   1.619  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1       -3.865   2.980   2.236  0.00  0.00    +0.004 A 
ENDBRANCH  19  22
ENDBRANCH   1  19
TORSDOF 5