REMARK  Name = BDB056916
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.775  -1.317   0.706  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1        3.028  -0.635   0.736  0.00  0.00    +0.065 A 
ATOM      3  C   LIG    1        4.082  -1.210   1.454  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        5.452  -0.677   1.478  0.00  0.00    +0.196 A 
ATOM      5  C   LIG    1        5.703   0.741   1.736  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        5.045   1.768   1.076  0.00  0.00    +0.050 A 
ATOM      7  C   LIG    1        4.055   1.579   0.001  0.00  0.00    +0.257 A 
ATOM      8  O   LIG    1        3.952   2.455  -0.859  0.00  0.00    -0.267 OA
ATOM      9  C   LIG    1        5.384   3.099   1.390  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        6.355   3.393   2.349  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        7.017   2.358   2.998  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        6.698   1.037   2.688  0.00  0.00    +0.012 A 
ATOM     13  O   LIG    1        6.403  -1.451   1.413  0.00  0.00    -0.287 OA
ATOM     14  C   LIG    1        3.904  -2.420   2.150  0.00  0.00    +0.014 A 
ATOM     15  C   LIG    1        2.677  -3.067   2.149  0.00  0.00    +0.002 A 
ATOM     16  N   LIG    1        3.166   0.541  -0.025  0.00  0.00    -0.321 N 
ATOM     17  H   LIG    1        2.423   0.744  -0.697  0.00  0.00    +0.169 HD
ATOM     18  C   LIG    1        1.622  -2.520   1.429  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  21
ATOM     19  C   LIG    1       -1.403  -0.739  -0.768  0.00  0.00    +0.242 A 
ATOM     20  O   LIG    1       -0.558  -1.467   0.053  0.00  0.00    -0.416 OA
ATOM     21  C   LIG    1        0.633  -0.802  -0.053  0.00  0.00    +0.251 A 
ATOM     22  N   LIG    1        0.553   0.234  -0.858  0.00  0.00    -0.107 NA
ATOM     23  N   LIG    1       -0.744   0.275  -1.313  0.00  0.00    -0.108 NA
BRANCH  19  25
ATOM     24  C   LIG    1       -3.583  -0.367  -1.724  0.00  0.00    +0.017 C 
ATOM     25  C   LIG    1       -2.766  -1.097  -0.949  0.00  0.00    +0.070 C 
BRANCH  24  27
ATOM     26  C   LIG    1       -5.979   0.347  -1.922  0.00  0.00    +0.127 A 
ATOM     27  C   LIG    1       -5.010  -0.681  -1.934  0.00  0.00    +0.018 A 
ATOM     28  C   LIG    1       -5.409  -2.000  -2.203  0.00  0.00    +0.026 A 
ATOM     29  C   LIG    1       -6.751  -2.296  -2.429  0.00  0.00    +0.019 A 
ATOM     30 BR   LIG    1       -7.274  -4.078  -2.782  0.00  0.00    -0.050 Br
ATOM     31  C   LIG    1       -7.710  -1.288  -2.401  0.00  0.00    +0.019 A 
ATOM     32  C   LIG    1       -7.324   0.031  -2.151  0.00  0.00    +0.047 A 
BRANCH  26  34
ATOM     33  C   LIG    1       -6.456   2.680  -1.696  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1       -5.516   1.614  -1.668  0.00  0.00    -0.495 OA
ENDBRANCH  26  34
ENDBRANCH  24  27
ENDBRANCH  19  25
ENDBRANCH   1  21
TORSDOF 4