REMARK  Name = BDB022053
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.043   0.300   1.444  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -0.364  -1.011   1.202  0.00  0.00    -0.297 N 
ATOM      3  C   LIG    1       -1.501  -1.531   1.961  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -2.093  -2.796   1.336  0.00  0.00    +0.032 C 
ATOM      5  C   LIG    1       -1.940  -2.859  -0.190  0.00  0.00    +0.078 C 
ATOM      6  C   LIG    1       -0.499  -2.591  -0.661  0.00  0.00    +0.032 C 
ATOM      7  C   LIG    1        0.389  -1.994   0.427  0.00  0.00    +0.109 C 
ATOM      8  O   LIG    1       -0.616   1.099   2.102  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  15
ATOM      9  C   LIG    1        3.585   1.686  -0.479  0.00  0.00    +0.128 A 
ATOM     10  C   LIG    1        3.708   1.038   0.781  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        2.546   0.582   1.454  0.00  0.00    -0.002 A 
ATOM     12  C   LIG    1        2.688  -0.045   2.716  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        3.940  -0.232   3.301  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        5.078   0.204   2.641  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        1.295   0.776   0.825  0.00  0.00    +0.045 A 
ATOM     16  C   LIG    1        1.181   1.423  -0.409  0.00  0.00    +0.017 A 
ATOM     17  C   LIG    1        4.962   0.832   1.400  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1        2.326   1.875  -1.059  0.00  0.00    +0.047 A 
BRANCH   9  20
ATOM     19  C   LIG    1        4.681   2.820  -2.284  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1        4.762   2.093  -1.065  0.00  0.00    -0.495 OA
ENDBRANCH   9  20
ENDBRANCH   1  15
BRANCH   5  21
ATOM     21  C   LIG    1       -2.955  -1.957  -0.905  0.00  0.00    +0.220 C 
ATOM     22  N   LIG    1       -2.752  -0.605  -0.719  0.00  0.00    -0.285 N 
ATOM     23  H   LIG    1       -1.981  -0.338  -0.117  0.00  0.00    +0.155 HD
ATOM     24  O   LIG    1       -3.859  -2.464  -1.563  0.00  0.00    -0.275 OA
BRANCH  22  25
ATOM     25  C   LIG    1       -3.519   0.464  -1.224  0.00  0.00    +0.036 A 
ATOM     26  C   LIG    1       -4.572   0.314  -2.125  0.00  0.00    +0.061 A 
ATOM     27  C   LIG    1       -5.266   1.437  -2.571  0.00  0.00    +0.125 A 
ATOM     28  F   LIG    1       -6.273   1.286  -3.442  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1       -4.933   2.713  -2.135  0.00  0.00    +0.038 A 
ATOM     30  C   LIG    1       -3.886   2.873  -1.233  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -3.182   1.753  -0.781  0.00  0.00    +0.023 A 
ENDBRANCH  22  25
ENDBRANCH   5  21
TORSDOF 4