REMARK  Name = BDB055656
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.011   0.425  -0.613  0.00  0.00    +0.062 A 
ATOM      2  C   LIG    1        0.646  -0.338   0.349  0.00  0.00    +0.137 A 
ATOM      3  C   LIG    1        2.056  -0.166   0.218  0.00  0.00    +0.029 A 
ATOM      4  C   LIG    1        2.248   0.710  -0.853  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1        3.515   1.115  -1.288  0.00  0.00    +0.027 A 
ATOM      6  C   LIG    1        4.628   0.611  -0.608  0.00  0.00    +0.017 A 
ATOM      7  C   LIG    1        4.479  -0.270   0.467  0.00  0.00    +0.060 A 
ATOM      8  C   LIG    1        3.197  -0.665   0.885  0.00  0.00    +0.027 A 
ATOM      9  N   LIG    1        1.004   1.038  -1.344  0.00  0.00    -0.355 N 
ATOM     10  H   LIG    1        0.854   1.639  -2.144  0.00  0.00    +0.166 HD
ENDROOT
BRANCH   1  18
ATOM     11  C   LIG    1       -3.936  -2.162  -1.043  0.00  0.00    +0.138 C 
ATOM     12  N   LIG    1       -3.147  -0.991  -0.774  0.00  0.00    -0.272 N 
ATOM     13  C   LIG    1       -3.343  -0.078   0.286  0.00  0.00    +0.054 A 
ATOM     14  C   LIG    1       -2.337   0.901   0.213  0.00  0.00    -0.007 A 
ATOM     15  C   LIG    1       -2.257   1.950   1.121  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1       -3.206   2.014   2.135  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -4.214   1.042   2.224  0.00  0.00    +0.017 A 
ATOM     18  C   LIG    1       -1.431   0.631  -0.958  0.00  0.00    +0.156 C 
ATOM     19  C   LIG    1       -4.294  -0.013   1.300  0.00  0.00    +0.040 A 
ATOM     20 BR   LIG    1       -5.714  -1.239   1.546  0.00  0.00    -0.048 Br
ATOM     21  C   LIG    1       -2.034  -0.649  -1.553  0.00  0.00    +0.233 C 
ATOM     22  O   LIG    1       -1.614  -1.238  -2.540  0.00  0.00    -0.274 OA
ENDBRANCH   1  18
BRANCH   2  23
ATOM     23  N   LIG    1       -0.064  -1.184   1.317  0.00  0.00    -0.028 NA
ATOM     24  O   LIG    1        0.582  -1.498   2.321  0.00  0.00    -0.143 OA
ENDBRANCH   2  23
BRANCH   7  25
ATOM     25  C   LIG    1        5.648  -0.818   1.197  0.00  0.00    +0.337 C 
ATOM     26  O   LIG    1        5.608  -1.585   2.141  0.00  0.00    -0.245 OA
BRANCH  25  27
ATOM     27  O   LIG    1        6.823  -0.377   0.711  0.00  0.00    -0.477 OA
ATOM     28  H   LIG    1        7.487  -0.818   1.281  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH   7  25
TORSDOF 4