REMARK  Name = BDB058541
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.448  -3.069  -2.166  0.00  0.00    +0.105 C 
ATOM      2  N   LIG    1        1.276  -2.012  -1.176  0.00  0.00    -0.303 NA
ATOM      3  C   LIG    1        2.416  -1.919  -0.260  0.00  0.00    +0.092 C 
ATOM      4  C   LIG    1        2.331  -0.667   0.660  0.00  0.00    +0.035 C 
ATOM      5  C   LIG    1        0.878  -0.254   0.985  0.00  0.00    +0.033 C 
ATOM      6  C   LIG    1       -0.039  -1.475   0.931  0.00  0.00    +0.088 C 
ATOM      7  C   LIG    1       -0.014  -2.146  -0.467  0.00  0.00    +0.106 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1        3.128   0.518   0.136  0.00  0.00    -0.042 A 
ATOM      9  C   LIG    1        4.105   1.122   0.941  0.00  0.00    +0.019 A 
ATOM     10  C   LIG    1        4.834   2.213   0.465  0.00  0.00    +0.018 A 
ATOM     11 BR   LIG    1        6.149   3.012   1.565  0.00  0.00    -0.050 Br
ATOM     12  C   LIG    1        4.600   2.721  -0.810  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        3.628   2.133  -1.617  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        2.896   1.040  -1.147  0.00  0.00    +0.004 A 
ENDBRANCH   4   8
BRANCH   6  15
ATOM     15  N   LIG    1       -1.387  -1.193   1.431  0.00  0.00    -0.311 N 
ATOM     16  H   LIG    1       -1.446  -1.284   2.435  0.00  0.00    +0.149 HD
BRANCH  15  17
ATOM     17  C   LIG    1       -2.279  -0.301   0.867  0.00  0.00    +0.199 A 
ATOM     18  N   LIG    1       -3.475  -0.048   1.574  0.00  0.00    -0.282 N 
ATOM     19  C   LIG    1       -3.793  -0.760   2.800  0.00  0.00    +0.155 C 
ATOM     20  C   LIG    1       -4.429   0.873   1.124  0.00  0.00    +0.279 A 
ATOM     21  O   LIG    1       -5.468   1.156   1.713  0.00  0.00    -0.265 OA
ATOM     22  C   LIG    1       -4.064   1.465  -0.113  0.00  0.00    +0.130 A 
ATOM     23  C   LIG    1       -2.911   1.163  -0.765  0.00  0.00    +0.097 A 
ATOM     24  C   LIG    1       -2.844   1.906  -1.952  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1       -3.998   2.667  -1.994  0.00  0.00    +0.085 A 
ATOM     26  N   LIG    1       -4.736   2.389  -0.864  0.00  0.00    -0.355 N 
ATOM     27  H   LIG    1       -5.631   2.795  -0.617  0.00  0.00    +0.166 HD
ATOM     28  N   LIG    1       -1.981   0.261  -0.276  0.00  0.00    -0.214 NA
ENDBRANCH  15  17
ENDBRANCH   6  15
TORSDOF 3