REMARK  Name = BDB033058
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.257   0.587   0.322  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1       -0.544  -0.591  -0.228  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1       -1.728  -0.578   0.599  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1       -1.422  -0.079   1.865  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1       -2.115  -0.162   2.867  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1       -0.044   0.540   1.820  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        2.555  -0.385   0.275  0.00  0.00    +0.245 C 
ATOM      8  N   LIG    1        1.667   0.625  -0.021  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        1.998   1.408  -0.572  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        2.247  -1.442   0.807  0.00  0.00    -0.270 OA
BRANCH   7  13
ATOM     11  C   LIG    1        4.140   2.067   1.094  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1        4.685   0.998   0.189  0.00  0.00    -0.038 A 
ATOM     13  C   LIG    1        3.952  -0.152  -0.165  0.00  0.00    +0.043 A 
ATOM     14  C   LIG    1        4.529  -1.156  -0.957  0.00  0.00    +0.058 A 
ATOM     15  C   LIG    1        5.822  -0.988  -1.436  0.00  0.00    +0.118 A 
ATOM     16  C   LIG    1        6.546   0.159  -1.138  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1        5.982   1.147  -0.328  0.00  0.00    +0.007 A 
BRANCH  15  18
ATOM     18  O   LIG    1        6.421  -1.933  -2.214  0.00  0.00    -0.507 OA
ATOM     19  H   LIG    1        5.837  -2.708  -2.273  0.00  0.00    +0.292 HD
ENDBRANCH  15  18
ENDBRANCH   7  13
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  C   LIG    1       -2.808  -1.518   0.390  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.168  -0.850   0.423  0.00  0.00    -0.018 A 
ATOM     22  C   LIG    1       -4.602   0.052  -0.577  0.00  0.00    +0.059 A 
ATOM     23  C   LIG    1       -5.881   0.634  -0.463  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1       -6.718   0.332   0.611  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -6.288  -0.548   1.595  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -5.024  -1.131   1.504  0.00  0.00    +0.006 A 
BRANCH  22  27
ATOM     27  C   LIG    1       -3.731   0.442  -1.749  0.00  0.00    +0.418 C 
ATOM     28  F   LIG    1       -4.419   1.070  -2.748  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1       -2.728   1.301  -1.410  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1       -3.127  -0.621  -2.353  0.00  0.00    -0.166 F 
ENDBRANCH  22  27
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 6