REMARK  Name = BDB043983
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.776   1.890  -0.470  0.00  0.00    +0.191 C 
ATOM      2  C   LIG    1        0.521   2.191   0.187  0.00  0.00    +0.283 C 
ATOM      3  O   LIG    1        1.143   3.233   0.101  0.00  0.00    -0.267 OA
ATOM      4  N   LIG    1        0.870   1.075   0.923  0.00  0.00    -0.279 N 
ATOM      5  C   LIG    1       -0.147   0.045   0.873  0.00  0.00    +0.145 C 
ATOM      6  C   LIG    1       -1.147   0.680  -0.038  0.00  0.00    +0.071 C 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        0.360  -1.300   0.397  0.00  0.00    -0.022 A 
ATOM      8  C   LIG    1        0.144  -2.445   1.182  0.00  0.00    +0.007 A 
ATOM      9  C   LIG    1        0.604  -3.696   0.762  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        1.283  -3.812  -0.448  0.00  0.00    +0.018 A 
ATOM     11 BR   LIG    1        1.919  -5.502  -1.007  0.00  0.00    -0.050 Br
ATOM     12  C   LIG    1        1.499  -2.693  -1.246  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        1.035  -1.444  -0.828  0.00  0.00    +0.007 A 
ENDBRANCH   5   7
BRANCH   6  14
ATOM     14  C   LIG    1       -2.372  -0.003  -0.488  0.00  0.00    +0.195 C 
ATOM     15  O   LIG    1       -2.716  -0.011  -1.664  0.00  0.00    -0.287 OA
BRANCH  14  16
ATOM     16  C   LIG    1       -3.143  -0.768   0.518  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1       -3.625  -2.033   0.168  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1       -4.338  -2.787   1.100  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -4.581  -2.272   2.373  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -4.120  -1.000   2.716  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -3.404  -0.242   1.789  0.00  0.00    +0.012 A 
ENDBRANCH  14  16
ENDBRANCH   6  14
BRANCH   1  22
ATOM     22  O   LIG    1       -1.493   2.734  -1.268  0.00  0.00    -0.484 OA
BRANCH  22  24
ATOM     23  C   LIG    1       -1.390   2.887  -3.648  0.00  0.00    +0.051 C 
ATOM     24  C   LIG    1       -0.738   3.317  -2.338  0.00  0.00    +0.168 C 
ATOM     25  C   LIG    1       -0.787   4.832  -2.186  0.00  0.00    +0.051 C 
ENDBRANCH  22  24
ENDBRANCH   1  22
BRANCH   4  26
ATOM     26  C   LIG    1        2.021   1.026   1.806  0.00  0.00    +0.145 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.219   0.382   1.171  0.00  0.00    -0.012 A 
ATOM     28  C   LIG    1        3.913   1.018   0.145  0.00  0.00    +0.115 A 
ATOM     29  N   LIG    1        4.987   0.489  -0.487  0.00  0.00    -0.263 NA
ATOM     30  C   LIG    1        5.390  -0.733  -0.080  0.00  0.00    +0.111 A 
ATOM     31  C   LIG    1        4.774  -1.448   0.932  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1        3.675  -0.879   1.568  0.00  0.00    +0.008 A 
ENDBRANCH  26  27
ENDBRANCH   4  26
TORSDOF 7