REMARK  Name = BDB058332
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.849  -0.290  -1.189  0.00  0.00    +0.092 C 
ATOM      2  C   LIG    1       -1.228   1.074  -0.620  0.00  0.00    +0.024 C 
ATOM      3  C   LIG    1       -1.308   2.235  -1.548  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1       -1.429   3.618  -0.948  0.00  0.00    +0.080 C 
ATOM      5  C   LIG    1       -2.298   3.591   0.296  0.00  0.00    +0.014 C 
ATOM      6  C   LIG    1       -1.767   2.590   1.315  0.00  0.00    +0.051 C 
ATOM      7  O   LIG    1       -1.242   2.078  -2.766  0.00  0.00    -0.292 OA
ATOM      8  C   LIG    1       -1.463   1.248   0.698  0.00  0.00    +0.015 C 
ATOM      9  N   LIG    1       -1.450   0.161   1.555  0.00  0.00    -0.320 N 
ATOM     10  H   LIG    1       -1.228   0.359   2.534  0.00  0.00    +0.152 HD
ATOM     11  C   LIG    1       -1.258  -1.145   1.136  0.00  0.00    +0.015 C 
ATOM     12  C   LIG    1       -1.355  -2.215   2.194  0.00  0.00    +0.051 C 
ATOM     13  C   LIG    1       -1.684  -3.583   1.609  0.00  0.00    +0.014 C 
ATOM     14  C   LIG    1       -0.785  -3.902   0.428  0.00  0.00    +0.080 C 
ATOM     15  C   LIG    1       -0.876  -2.819  -0.623  0.00  0.00    +0.162 C 
ATOM     16  O   LIG    1       -0.800  -3.092  -1.819  0.00  0.00    -0.292 OA
ATOM     17  C   LIG    1       -1.016  -1.410  -0.166  0.00  0.00    +0.024 C 
ENDROOT
BRANCH   1  19
ATOM     18  C   LIG    1        1.734  -0.033  -0.990  0.00  0.00    +0.125 A 
ATOM     19  C   LIG    1        0.580  -0.275  -1.771  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1        0.732  -0.514  -3.153  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1        1.993  -0.514  -3.740  0.00  0.00    +0.018 A 
ATOM     22 BR   LIG    1        2.173  -0.838  -5.593  0.00  0.00    -0.050 Br
ATOM     23  C   LIG    1        3.125  -0.276  -2.969  0.00  0.00    +0.019 A 
ATOM     24  C   LIG    1        2.996  -0.036  -1.598  0.00  0.00    +0.047 A 
BRANCH  18  25
ATOM     25  O   LIG    1        1.530   0.194   0.344  0.00  0.00    -0.480 OA
BRANCH  25  26
ATOM     26  C   LIG    1        2.650   0.442   1.176  0.00  0.00    +0.349 C 
BRANCH  26  28
ATOM     27  O   LIG    1        1.084   0.653   3.063  0.00  0.00    -0.247 OA
ATOM     28  C   LIG    1        2.227   0.671   2.627  0.00  0.00    +0.343 C 
BRANCH  28  29
ATOM     29  O   LIG    1        3.287   0.911   3.444  0.00  0.00    -0.478 OA
ATOM     30  H   LIG    1        4.156   0.904   3.001  0.00  0.00    +0.295 HD
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  18  25
ENDBRANCH   1  19
TORSDOF 5