REMARK  Name = BDB056315
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.756  -0.733   0.762  0.00  0.00    +0.197 C 
ATOM      2  C   LIG    1        0.996   0.030  -0.317  0.00  0.00    +0.244 C 
ATOM      3  O   LIG    1        1.535   0.978  -0.902  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.325  -0.347  -0.571  0.00  0.00    -0.262 N 
ATOM      5  C   LIG    1       -0.960  -1.499   0.022  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1       -0.766  -1.947   1.345  0.00  0.00    +0.142 A 
ATOM      7  C   LIG    1       -1.475  -3.069   1.822  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -2.355  -3.777   1.014  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -2.536  -3.371  -0.295  0.00  0.00    +0.002 A 
ATOM     10  O   LIG    1        0.025  -1.440   2.338  0.00  0.00    -0.488 OA
ATOM     11  C   LIG    1       -1.847  -2.253  -0.777  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        0.987  -0.443   2.039  0.00  0.00    +0.261 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        4.135  -0.802   0.081  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        3.125  -0.226   0.827  0.00  0.00    -0.300 N 
ATOM     15  H   LIG    1        3.265   0.767   0.995  0.00  0.00    +0.150 HD
ATOM     16  O   LIG    1        4.029  -1.902  -0.455  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        5.375   0.109  -0.075  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        6.595  -0.661  -0.575  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        6.084   0.113   2.282  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        5.622   0.913   1.151  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        6.343   1.603   0.936  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -1.021   0.407  -1.642  0.00  0.00    +0.153 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.414   0.923  -1.279  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -2.607   1.847  -0.201  0.00  0.00    -0.010 A 
ATOM     25  C   LIG    1       -3.927   2.237   0.141  0.00  0.00    -0.016 A 
ATOM     26  C   LIG    1       -4.160   3.117   1.211  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -3.098   3.642   1.941  0.00  0.00    +0.018 A 
ATOM     28  C   LIG    1       -1.795   3.308   1.611  0.00  0.00    +0.016 A 
ATOM     29 BR   LIG    1       -3.433   4.833   3.370  0.00  0.00    -0.050 Br
ATOM     30  C   LIG    1       -5.009   1.754  -0.599  0.00  0.00    +0.012 A 
ATOM     31  C   LIG    1       -4.813   0.911  -1.690  0.00  0.00    +0.046 A 
ATOM     32  C   LIG    1       -1.557   2.427   0.551  0.00  0.00    +0.010 A 
ATOM     33  C   LIG    1       -3.528   0.504  -2.046  0.00  0.00    +0.125 A 
BRANCH  33  34
ATOM     34  O   LIG    1       -3.257  -0.298  -3.126  0.00  0.00    -0.495 OA
ATOM     35  C   LIG    1       -4.341  -0.672  -3.969  0.00  0.00    +0.277 C 
ENDBRANCH  33  34
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 6