REMARK  Name = BDB002818
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.528   0.214  -0.274  0.00  0.00    -0.260 N 
ATOM      2  C   LIG    1       -0.754  -0.436   0.739  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        0.618  -0.178   0.950  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1        1.307  -0.777   2.022  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        0.656  -1.680   2.853  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1       -0.677  -1.994   2.631  0.00  0.00    +0.017 A 
ATOM      7 BR   LIG    1        1.592  -2.494   4.277  0.00  0.00    -0.050 Br
ATOM      8  C   LIG    1        1.425   0.672   0.024  0.00  0.00    +0.075 C 
ATOM      9  N   LIG    1        1.062   1.839  -0.389  0.00  0.00    -0.273 NA
ATOM     10  C   LIG    1       -0.244   2.334   0.027  0.00  0.00    +0.238 C 
ATOM     11  C   LIG    1       -1.372  -1.378   1.583  0.00  0.00    +0.025 A 
ATOM     12  C   LIG    1       -1.320   1.533  -0.689  0.00  0.00    +0.242 C 
ATOM     13  O   LIG    1       -2.037   2.055  -1.550  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   8  14
ATOM     14  C   LIG    1        2.744   0.153  -0.464  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        3.793   1.057  -0.676  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        5.030   0.600  -1.132  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        5.221  -0.757  -1.389  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        4.175  -1.659  -1.198  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        2.935  -1.207  -0.741  0.00  0.00    +0.010 A 
ENDBRANCH   8  14
BRANCH   1  20
ATOM     20  C   LIG    1       -2.640  -0.496  -0.914  0.00  0.00    +0.210 C 
BRANCH  20  23
ATOM     21  N   LIG    1       -4.517   1.081  -0.798  0.00  0.00    -0.252 N 
ATOM     22  H   LIG    1       -3.873   1.726  -1.278  0.00  0.00    +0.169 HD
ATOM     23  C   LIG    1       -3.998  -0.117  -0.320  0.00  0.00    +0.244 C 
ATOM     24  O   LIG    1       -4.569  -0.804   0.529  0.00  0.00    -0.273 OA
BRANCH  21  25
ATOM     25  N   LIG    1       -5.684   1.611  -0.198  0.00  0.00    -0.254 NA
ATOM     26  H   LIG    1       -6.479   1.350  -0.787  0.00  0.00    +0.140 HD
ATOM     27  H   LIG    1       -5.839   1.091   0.675  0.00  0.00    +0.140 HD
ENDBRANCH  21  25
ENDBRANCH  20  23
ENDBRANCH   1  20
TORSDOF 4