REMARK  Name = BDB033589
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.134   0.713  -0.923  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.997  -0.029  -0.490  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.423   0.653   0.633  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.525   0.295   1.401  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        3.245  -0.837   0.978  0.00  0.00    -0.019 A 
ATOM      6  C   LIG    1        2.825  -1.559  -0.157  0.00  0.00    +0.052 A 
ATOM      7  O   LIG    1        0.599   1.709   0.860  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        1.691  -1.183  -0.902  0.00  0.00    +0.138 A 
ATOM      9  N   LIG    1       -0.388   1.742  -0.111  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -0.894   0.382  -2.036  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -0.694  -0.490  -2.521  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -2.388   1.037  -2.394  0.00  0.00    +0.082 S 
ATOM     13  O   LIG    1       -2.955   0.189  -3.425  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -2.173   2.446  -2.655  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -4.114   1.835  -0.387  0.00  0.00    +0.154 A 
ATOM     16  C   LIG    1       -3.359   0.810  -0.950  0.00  0.00    +0.211 A 
ATOM     17  C   LIG    1       -3.395  -0.432  -0.336  0.00  0.00    +0.246 A 
ATOM     18  N   LIG    1       -4.104  -0.681   0.796  0.00  0.00    -0.216 NA
ATOM     19  C   LIG    1       -4.832   0.327   1.327  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1       -5.628   0.028   2.561  0.00  0.00    +0.066 C 
ATOM     21  C   LIG    1       -4.872   1.590   0.759  0.00  0.00    +0.071 A 
BRANCH  15  23
ATOM     22  C   LIG    1       -3.495   4.057  -0.285  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1       -4.241   3.058  -0.985  0.00  0.00    -0.493 OA
ENDBRANCH  15  23
BRANCH  17  24
ATOM     24  O   LIG    1       -2.673  -1.476  -0.878  0.00  0.00    -0.478 OA
ATOM     25  C   LIG    1       -2.899  -2.726  -0.233  0.00  0.00    +0.279 C 
ENDBRANCH  17  24
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   5  26
ATOM     26  C   LIG    1        4.476  -1.271   1.744  0.00  0.00    +0.178 C 
BRANCH  26  27
ATOM     27  N   LIG    1        5.560  -0.307   1.609  0.00  0.00    -0.267 N 
ATOM     28  N   LIG    1        5.818   0.563   2.608  0.00  0.00    -0.179 NA
ATOM     29  C   LIG    1        6.858   1.266   2.153  0.00  0.00    +0.134 A 
ATOM     30  C   LIG    1        7.274   0.844   0.877  0.00  0.00    +0.041 A 
ATOM     31  C   LIG    1        6.419  -0.182   0.552  0.00  0.00    +0.108 A 
ENDBRANCH  26  27
ENDBRANCH   5  26
BRANCH   8  32
ATOM     32  O   LIG    1        1.226  -1.838  -2.012  0.00  0.00    -0.461 OA
BRANCH  32  33
ATOM     33  C   LIG    1        1.608  -3.202  -2.157  0.00  0.00    +0.444 C 
ATOM     34  F   LIG    1        2.907  -3.248  -2.546  0.00  0.00    -0.204 F 
ENDBRANCH  32  33
ENDBRANCH   8  32
TORSDOF 9