REMARK  Name = BDB061829
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.321  -0.648   0.397  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.006  -0.819  -0.959  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1        1.182  -0.224  -1.454  0.00  0.00    +0.020 A 
ATOM      4  C   LIG    1        1.831  -0.161  -2.706  0.00  0.00    +0.143 A 
ATOM      5  N   LIG    1        2.956   0.555  -2.670  0.00  0.00    -0.178 NA
ATOM      6  N   LIG    1        3.050   0.935  -1.375  0.00  0.00    -0.259 N 
ATOM      7  C   LIG    1        1.999   0.506  -0.595  0.00  0.00    +0.069 A 
ATOM      8  C   LIG    1        1.700   0.674   0.764  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1        0.526   0.080   1.242  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  11
ATOM     10  O   LIG    1       -1.594  -1.511   2.184  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -1.550  -1.249   0.987  0.00  0.00    +0.244 C 
ATOM     12  N   LIG    1       -2.609  -1.449   0.126  0.00  0.00    -0.307 N 
ATOM     13  H   LIG    1       -2.587  -1.023  -0.792  0.00  0.00    +0.149 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -3.893  -1.900   0.609  0.00  0.00    +0.140 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -4.797  -0.726   0.919  0.00  0.00    -0.019 A 
ATOM     16  C   LIG    1       -5.488  -0.017  -0.091  0.00  0.00    +0.059 A 
ATOM     17  C   LIG    1       -6.305   1.070   0.275  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1       -6.424   1.461   1.608  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -5.726   0.777   2.597  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -4.915  -0.305   2.255  0.00  0.00    +0.006 A 
BRANCH  16  21
ATOM     21  C   LIG    1       -5.367  -0.398  -1.548  0.00  0.00    +0.418 C 
ATOM     22  F   LIG    1       -6.000   0.458  -2.397  0.00  0.00    -0.166 F 
ATOM     23  F   LIG    1       -4.069  -0.440  -1.974  0.00  0.00    -0.166 F 
ATOM     24  F   LIG    1       -5.883  -1.631  -1.812  0.00  0.00    -0.166 F 
ENDBRANCH  16  21
ENDBRANCH  14  15
ENDBRANCH  12  14
ENDBRANCH   1  11
BRANCH   6  25
ATOM     25  C   LIG    1        4.177   1.761  -0.955  0.00  0.00    +0.179 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.230   0.959  -0.228  0.00  0.00    -0.023 A 
ATOM     27  C   LIG    1        5.917  -0.077  -0.880  0.00  0.00    +0.043 A 
ATOM     28  C   LIG    1        6.890  -0.803  -0.201  0.00  0.00    +0.124 A 
ATOM     29  F   LIG    1        7.537  -1.791  -0.833  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        7.204  -0.518   1.122  0.00  0.00    +0.038 A 
ATOM     31  C   LIG    1        6.536   0.513   1.778  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1        5.556   1.250   1.107  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH   6  25
TORSDOF 6