REMARK  Name = BDB026727
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.890   1.623   0.826  0.00  0.00    +0.209 C 
ATOM      2  C   LIG    1       -0.134   2.478   1.621  0.00  0.00    +0.245 C 
ATOM      3  O   LIG    1        0.177   3.592   2.046  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -1.377   1.905   1.869  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1       -2.386   2.684   2.568  0.00  0.00    +0.133 C 
ATOM      6  C   LIG    1       -1.815   0.698   1.145  0.00  0.00    +0.139 C 
ATOM      7  C   LIG    1       -0.606  -0.229   0.841  0.00  0.00    +0.174 C 
ATOM      8  O   LIG    1        0.392   0.493   0.109  0.00  0.00    -0.357 OA
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -2.672   1.043  -0.072  0.00  0.00    -0.024 A 
ATOM     10  C   LIG    1       -2.228   1.912  -1.082  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -3.031   2.194  -2.190  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1       -4.289   1.608  -2.300  0.00  0.00    +0.018 A 
ATOM     13 BR   LIG    1       -5.374   1.986  -3.800  0.00  0.00    -0.050 Br
ATOM     14  C   LIG    1       -4.751   0.743  -1.313  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1       -3.947   0.463  -0.205  0.00  0.00    +0.006 A 
ENDBRANCH   6   9
BRANCH   7  16
ATOM     16  C   LIG    1       -0.964  -1.516   0.118  0.00  0.00    -0.017 A 
ATOM     17  C   LIG    1       -0.820  -1.643  -1.273  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1       -1.170  -2.829  -1.922  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1       -1.668  -3.899  -1.184  0.00  0.00    +0.018 A 
ATOM     20 BR   LIG    1       -2.142  -5.505  -2.060  0.00  0.00    -0.050 Br
ATOM     21  C   LIG    1       -1.820  -3.794   0.197  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1       -1.470  -2.607   0.845  0.00  0.00    +0.007 A 
ENDBRANCH   7  16
BRANCH   1  23
ATOM     23  C   LIG    1        2.037   1.219   1.774  0.00  0.00    +0.076 C 
BRANCH  23  26
ATOM     24  C   LIG    1        4.449  -0.953  -0.245  0.00  0.00    +0.120 A 
ATOM     25  C   LIG    1        3.320  -0.526   0.457  0.00  0.00    +0.049 A 
ATOM     26  C   LIG    1        3.274   0.755   1.036  0.00  0.00    -0.041 A 
ATOM     27  C   LIG    1        4.382   1.602   0.907  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        5.516   1.174   0.219  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        5.548  -0.099  -0.352  0.00  0.00    +0.045 A 
BRANCH  24  31
ATOM     30  C   LIG    1        3.446  -2.996  -0.925  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1        4.600  -2.166  -0.858  0.00  0.00    -0.495 OA
ENDBRANCH  24  31
ENDBRANCH  23  26
ENDBRANCH   1  23
TORSDOF 5