REMARK  Name = BDB026725
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.557  -0.382   1.310  0.00  0.00    +0.209 C 
ATOM      2  C   LIG    1       -0.609  -0.466   2.336  0.00  0.00    +0.245 C 
ATOM      3  O   LIG    1       -0.425  -0.272   3.539  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -1.898  -0.679   1.805  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1       -2.940  -0.916   2.799  0.00  0.00    +0.133 C 
ATOM      6  C   LIG    1       -1.978  -1.407   0.524  0.00  0.00    +0.139 C 
ATOM      7  C   LIG    1       -0.865  -1.009  -0.495  0.00  0.00    +0.174 C 
ATOM      8  O   LIG    1        0.414  -1.183   0.135  0.00  0.00    -0.357 OA
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -3.354  -1.479  -0.133  0.00  0.00    -0.024 A 
ATOM     10  C   LIG    1       -3.785  -2.701  -0.682  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -5.023  -2.805  -1.322  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1       -5.843  -1.685  -1.425  0.00  0.00    +0.018 A 
ATOM     13 BR   LIG    1       -7.517  -1.822  -2.291  0.00  0.00    -0.050 Br
ATOM     14  C   LIG    1       -5.437  -0.465  -0.893  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1       -4.199  -0.364  -0.253  0.00  0.00    +0.006 A 
ENDBRANCH   6   9
BRANCH   7  16
ATOM     16  C   LIG    1       -0.909   0.323  -1.232  0.00  0.00    -0.017 A 
ATOM     17  C   LIG    1       -0.395   0.381  -2.542  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1       -0.387   1.576  -3.265  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1       -0.882   2.737  -2.681  0.00  0.00    +0.018 A 
ATOM     20 BR   LIG    1       -0.872   4.358  -3.653  0.00  0.00    -0.050 Br
ATOM     21  C   LIG    1       -1.377   2.712  -1.381  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1       -1.383   1.514  -0.660  0.00  0.00    +0.007 A 
ENDBRANCH   7  16
BRANCH   1  23
ATOM     23  C   LIG    1        1.885  -0.766   1.989  0.00  0.00    +0.076 C 
BRANCH  23  27
ATOM     24  C   LIG    1        5.305   0.716  -0.217  0.00  0.00    +0.120 A 
ATOM     25  C   LIG    1        4.781   1.451   0.846  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1        3.679   0.967   1.562  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1        3.091  -0.259   1.226  0.00  0.00    -0.044 A 
ATOM     28  C   LIG    1        3.618  -0.990   0.156  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1        4.717  -0.504  -0.556  0.00  0.00    +0.046 A 
BRANCH  24  31
ATOM     30  C   LIG    1        6.999   2.313  -0.693  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1        6.372   1.073  -0.995  0.00  0.00    -0.495 OA
ENDBRANCH  24  31
ENDBRANCH  23  27
ENDBRANCH   1  23
TORSDOF 5