REMARK  Name = BDB046053
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.755   1.689   2.432  0.00  0.00    +0.117 C 
ENDROOT
BRANCH   1   3
ATOM      2  O   LIG    1        1.374   1.303   3.471  0.00  0.00    -0.276 OA
ATOM      3  C   LIG    1        0.725   1.395   2.433  0.00  0.00    +0.215 C 
ATOM      4  N   LIG    1        1.267   1.234   1.183  0.00  0.00    -0.308 N 
ATOM      5  H   LIG    1        0.647   1.151   0.382  0.00  0.00    +0.149 HD
BRANCH   4   6
ATOM      6  C   LIG    1        2.582   0.646   1.016  0.00  0.00    +0.184 C 
BRANCH   6   7
ATOM      7  C   LIG    1        2.639  -0.022  -0.353  0.00  0.00    +0.180 C 
ATOM      8  O   LIG    1        1.697   0.049  -1.147  0.00  0.00    -0.290 OA
BRANCH   7   9
ATOM      9  C   LIG    1        3.873  -0.770  -0.736  0.00  0.00    +0.019 A 
ATOM     10  C   LIG    1        3.919  -1.377  -2.001  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        5.052  -2.087  -2.406  0.00  0.00    +0.016 A 
ATOM     12  C   LIG    1        6.143  -2.193  -1.548  0.00  0.00    +0.018 A 
ATOM     13 BR   LIG    1        7.677  -3.153  -2.092  0.00  0.00    -0.050 Br
ATOM     14  C   LIG    1        6.111  -1.595  -0.289  0.00  0.00    +0.016 A 
ATOM     15  C   LIG    1        4.978  -0.883   0.119  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       -1.581   0.403   2.411  0.00  0.00    +0.136 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -1.746  -0.175   1.065  0.00  0.00    -0.297 N 
ATOM     18  C   LIG    1       -0.858  -1.192   0.703  0.00  0.00    +0.330 A 
ATOM     19  O   LIG    1        0.042  -1.616   1.426  0.00  0.00    -0.246 OA
ATOM     20  N   LIG    1       -1.018  -1.713  -0.546  0.00  0.00    -0.275 N 
ATOM     21  H   LIG    1       -0.334  -2.391  -0.841  0.00  0.00    +0.173 HD
ATOM     22  C   LIG    1       -1.903  -1.288  -1.485  0.00  0.00    +0.257 A 
ATOM     23  O   LIG    1       -1.913  -1.742  -2.624  0.00  0.00    -0.267 OA
ATOM     24  C   LIG    1       -2.866  -0.255  -1.042  0.00  0.00    +0.036 A 
ATOM     25  C   LIG    1       -3.932   0.119  -2.035  0.00  0.00    +0.042 C 
ATOM     26  C   LIG    1       -5.085   0.900  -1.411  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -4.558   1.964  -0.462  0.00  0.00    +0.006 C 
ATOM     28  C   LIG    1       -3.727   1.334   0.660  0.00  0.00    +0.054 C 
ATOM     29  C   LIG    1       -2.750   0.268   0.195  0.00  0.00    +0.032 A 
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 6