REMARK  Name = BDB003488
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.702  -2.590   0.436  0.00  0.00    -0.174 NA
ATOM      2  C   LIG    1       -1.419  -2.549  -1.022  0.00  0.00    +0.128 C 
ATOM      3  C   LIG    1       -0.901  -1.174  -1.479  0.00  0.00    +0.123 C 
ATOM      4  N   LIG    1        0.279  -0.729  -0.720  0.00  0.00    -0.311 N 
ATOM      5  C   LIG    1        0.518  -1.433   0.555  0.00  0.00    +0.123 C 
ATOM      6  C   LIG    1       -0.807  -1.743   1.270  0.00  0.00    +0.128 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.224   0.158  -1.227  0.00  0.00    +0.142 A 
ATOM      8  N   LIG    1        2.391   0.219  -0.634  0.00  0.00    -0.148 NA
ATOM      9  N   LIG    1        3.289   1.094  -1.186  0.00  0.00    -0.191 N 
ATOM     10  C   LIG    1        3.087   1.897  -2.287  0.00  0.00    +0.178 A 
ATOM     11  N   LIG    1        4.174   2.579  -2.557  0.00  0.00    -0.128 NA
ATOM     12  N   LIG    1        5.121   2.227  -1.627  0.00  0.00    -0.127 NA
ATOM     13  C   LIG    1        1.824   1.854  -2.901  0.00  0.00    +0.053 A 
ATOM     14  C   LIG    1        4.594   1.347  -0.787  0.00  0.00    +0.185 A 
ATOM     15  C   LIG    1        0.894   1.025  -2.414  0.00  0.00    +0.049 A 
BRANCH  14  16
ATOM     16  C   LIG    1        5.305   0.733   0.341  0.00  0.00    +0.021 A 
ATOM     17  C   LIG    1        6.710   0.661   0.299  0.00  0.00    +0.014 A 
ATOM     18  C   LIG    1        7.434   0.094   1.351  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1        6.757  -0.400   2.457  0.00  0.00    +0.123 A 
ATOM     20  F   LIG    1        7.447  -0.944   3.467  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1        5.372  -0.332   2.531  0.00  0.00    +0.039 A 
ATOM     22  C   LIG    1        4.648   0.236   1.478  0.00  0.00    +0.014 A 
ENDBRANCH  14  16
ENDBRANCH   4   7
BRANCH   1  23
ATOM     23  S   LIG    1       -3.306  -2.760   0.944  0.00  0.00    +0.061 S 
ATOM     24  O   LIG    1       -3.310  -2.837   2.389  0.00  0.00    -0.153 OA
ATOM     25  O   LIG    1       -3.923  -3.788   0.133  0.00  0.00    -0.153 OA
BRANCH  23  29
ATOM     26  C   LIG    1       -5.250   1.220  -0.212  0.00  0.00    +0.120 A 
ATOM     27  C   LIG    1       -4.661   1.067   1.046  0.00  0.00    +0.047 A 
ATOM     28  C   LIG    1       -4.069  -0.149   1.401  0.00  0.00    +0.032 A 
ATOM     29  C   LIG    1       -4.050  -1.206   0.488  0.00  0.00    +0.106 A 
ATOM     30  C   LIG    1       -4.665  -1.073  -0.758  0.00  0.00    +0.032 A 
ATOM     31  C   LIG    1       -5.253   0.144  -1.106  0.00  0.00    +0.047 A 
BRANCH  26  33
ATOM     32  C   LIG    1       -5.946   3.455   0.209  0.00  0.00    +0.277 C 
ATOM     33  O   LIG    1       -5.854   2.352  -0.684  0.00  0.00    -0.495 OA
ENDBRANCH  26  33
ENDBRANCH  23  29
ENDBRANCH   1  23
TORSDOF 5