REMARK  Name = BDB046054
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.724  -0.047   0.543  0.00  0.00    +0.117 C 
ENDROOT
BRANCH   1   3
ATOM      2  O   LIG    1        0.567  -2.014  -0.013  0.00  0.00    -0.276 OA
ATOM      3  C   LIG    1        0.530  -0.803   0.172  0.00  0.00    +0.215 C 
ATOM      4  N   LIG    1        1.628   0.005   0.022  0.00  0.00    -0.308 N 
ATOM      5  H   LIG    1        1.587   0.996   0.252  0.00  0.00    +0.149 HD
BRANCH   4   6
ATOM      6  C   LIG    1        2.933  -0.542  -0.293  0.00  0.00    +0.184 C 
BRANCH   6   7
ATOM      7  C   LIG    1        3.942   0.593  -0.402  0.00  0.00    +0.180 C 
ATOM      8  O   LIG    1        3.622   1.763  -0.184  0.00  0.00    -0.290 OA
BRANCH   7   9
ATOM      9  C   LIG    1        5.351   0.265  -0.776  0.00  0.00    +0.019 A 
ATOM     10  C   LIG    1        5.781  -1.050  -0.999  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        7.113  -1.303  -1.348  0.00  0.00    +0.016 A 
ATOM     12  C   LIG    1        8.013  -0.246  -1.474  0.00  0.00    +0.018 A 
ATOM     13 BR   LIG    1        9.809  -0.595  -1.945  0.00  0.00    -0.050 Br
ATOM     14  C   LIG    1        7.597   1.065  -1.254  0.00  0.00    +0.016 A 
ATOM     15  C   LIG    1        6.268   1.319  -0.905  0.00  0.00    +0.012 A 
ENDBRANCH   7   9
ENDBRANCH   6   7
ENDBRANCH   4   6
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  C   LIG    1       -1.866  -1.007   0.869  0.00  0.00    +0.136 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -3.123  -0.293   1.146  0.00  0.00    -0.297 N 
ATOM     18  C   LIG    1       -3.272   0.185   2.446  0.00  0.00    +0.330 A 
ATOM     19  O   LIG    1       -2.413   0.090   3.321  0.00  0.00    -0.246 OA
ATOM     20  N   LIG    1       -4.449   0.810   2.722  0.00  0.00    -0.275 N 
ATOM     21  H   LIG    1       -4.548   1.194   3.649  0.00  0.00    +0.173 HD
ATOM     22  C   LIG    1       -5.421   1.105   1.823  0.00  0.00    +0.258 A 
ATOM     23  O   LIG    1       -6.385   1.803   2.123  0.00  0.00    -0.267 OA
ATOM     24  C   LIG    1       -5.246   0.557   0.454  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1       -6.423   0.816  -0.443  0.00  0.00    +0.111 C 
ATOM     26  S   LIG    1       -6.455  -0.217  -1.930  0.00  0.00    -0.155 S 
ATOM     27  C   LIG    1       -4.710  -0.059  -2.357  0.00  0.00    +0.075 C 
ATOM     28  C   LIG    1       -3.833  -0.624  -1.242  0.00  0.00    +0.064 C 
ATOM     29  C   LIG    1       -4.100  -0.094   0.159  0.00  0.00    +0.033 A 
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 6