REMARK  Name = BDB032598
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.186   0.074   2.724  0.00  0.00    -0.197 N 
ATOM      2  H   LIG    1        1.576   0.700   3.424  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.104   0.533   1.999  0.00  0.00    +0.181 A 
ATOM      4  N   LIG    1       -0.334   1.778   2.198  0.00  0.00    -0.061 NA
ATOM      5  O   LIG    1       -1.403   1.942   1.336  0.00  0.00    -0.353 OA
ATOM      6  C   LIG    1       -1.609   0.791   0.631  0.00  0.00    +0.169 A 
ATOM      7  C   LIG    1       -0.669  -0.133   1.029  0.00  0.00    +0.097 A 
BRANCH   6   8
ATOM      8  C   LIG    1       -2.714   0.794  -0.322  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -3.052  -0.374  -1.023  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1       -4.107  -0.382  -1.941  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -4.841   0.778  -2.171  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -4.521   1.946  -1.484  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -3.466   1.954  -0.567  0.00  0.00    +0.011 A 
ENDBRANCH   6   8
ENDBRANCH   1   3
BRANCH   1  15
ATOM     14  O   LIG    1        3.130  -1.358   3.377  0.00  0.00    -0.150 OA
ATOM     15  S   LIG    1        2.064  -1.297   2.400  0.00  0.00    +0.074 S 
ATOM     16  O   LIG    1        1.157  -2.407   2.202  0.00  0.00    -0.150 OA
BRANCH  15  17
ATOM     17  C   LIG    1        2.821  -0.913   0.835  0.00  0.00    +0.109 A 
ATOM     18  C   LIG    1        2.472  -1.638  -0.310  0.00  0.00    +0.031 A 
ATOM     19  C   LIG    1        3.077  -1.325  -1.528  0.00  0.00    +0.040 A 
ATOM     20  C   LIG    1        4.023  -0.305  -1.585  0.00  0.00    +0.124 A 
ATOM     21  F   LIG    1        4.601  -0.010  -2.756  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1        4.382   0.409  -0.446  0.00  0.00    +0.040 A 
ATOM     23  C   LIG    1        3.783   0.104   0.777  0.00  0.00    +0.031 A 
ENDBRANCH  15  17
ENDBRANCH   1  15
TORSDOF 4