REMARK  Name = BDB032609
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.824   2.256   1.803  0.00  0.00    -0.197 N 
ATOM      2  H   LIG    1       -1.102   2.463   2.759  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.174   1.317   1.623  0.00  0.00    +0.181 A 
ATOM      4  N   LIG    1        0.680   0.692   2.687  0.00  0.00    -0.061 NA
ATOM      5  O   LIG    1        1.635  -0.177   2.192  0.00  0.00    -0.353 OA
ATOM      6  C   LIG    1        1.707  -0.060   0.834  0.00  0.00    +0.169 A 
ATOM      7  C   LIG    1        0.791   0.887   0.434  0.00  0.00    +0.097 A 
BRANCH   6   8
ATOM      8  C   LIG    1        2.680  -0.907   0.152  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.886  -0.782  -1.231  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1        3.814  -1.590  -1.895  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        4.551  -2.535  -1.185  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        4.361  -2.672   0.187  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        3.433  -1.864   0.850  0.00  0.00    +0.011 A 
ENDBRANCH   6   8
ENDBRANCH   1   3
BRANCH   1  15
ATOM     14  O   LIG    1       -0.952   3.339  -0.485  0.00  0.00    -0.150 OA
ATOM     15  S   LIG    1       -1.787   2.892   0.609  0.00  0.00    +0.074 S 
ATOM     16  O   LIG    1       -2.728   3.783   1.253  0.00  0.00    -0.150 OA
BRANCH  15  17
ATOM     17  C   LIG    1       -2.712   1.478   0.060  0.00  0.00    +0.110 A 
ATOM     18  C   LIG    1       -3.616   0.878   0.941  0.00  0.00    +0.044 A 
ATOM     19  C   LIG    1       -4.340  -0.232   0.513  0.00  0.00    +0.020 A 
ATOM     20 BR   LIG    1       -5.560  -1.065   1.692  0.00  0.00    -0.050 Br
ATOM     21  C   LIG    1       -4.174  -0.735  -0.779  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1       -3.279  -0.120  -1.657  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1       -2.547   0.992  -1.242  0.00  0.00    +0.029 A 
ENDBRANCH  15  17
ENDBRANCH   1  15
TORSDOF 4