REMARK  Name = BDB033072
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.238  -1.556  -0.866  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1       -1.019  -1.196  -0.069  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1       -2.097  -1.540  -0.967  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1       -1.677  -1.593  -2.283  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1       -2.378  -1.758  -3.268  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1       -0.191  -1.343  -2.317  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        1.950  -0.840   0.757  0.00  0.00    +0.246 C 
ATOM      8  N   LIG    1        1.423  -0.783  -0.524  0.00  0.00    -0.306 N 
ATOM      9  H   LIG    1        2.075  -0.586  -1.273  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        1.398  -1.470   1.653  0.00  0.00    -0.270 OA
BRANCH   7  14
ATOM     11  C   LIG    1        5.325   2.626  -0.651  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1        4.921   1.500   0.254  0.00  0.00    -0.050 A 
ATOM     13  C   LIG    1        3.671   0.884   0.110  0.00  0.00    +0.018 A 
ATOM     14  C   LIG    1        3.267  -0.153   0.975  0.00  0.00    +0.058 A 
ATOM     15  C   LIG    1        4.119  -0.559   2.025  0.00  0.00    +0.037 A 
ATOM     16  C   LIG    1        5.350   0.093   2.180  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        5.754   1.099   1.299  0.00  0.00    +0.005 A 
BRANCH  15  18
ATOM     18  N   LIG    1        3.719  -1.448   3.034  0.00  0.00    -0.357 N 
ATOM     19  H   LIG    1        4.449  -2.022   3.436  0.00  0.00    +0.142 HD
ATOM     20  H   LIG    1        2.857  -1.957   2.813  0.00  0.00    +0.142 HD
ENDBRANCH  15  18
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  21
ATOM     21  C   LIG    1       -3.491  -1.518  -0.563  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.020  -0.108  -0.385  0.00  0.00    -0.018 A 
ATOM     23  C   LIG    1       -4.308   0.449   0.883  0.00  0.00    +0.059 A 
ATOM     24  C   LIG    1       -4.781   1.775   0.956  0.00  0.00    +0.013 A 
ATOM     25  C   LIG    1       -4.970   2.537  -0.197  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -4.692   1.988  -1.442  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -4.223   0.678  -1.536  0.00  0.00    +0.006 A 
BRANCH  23  28
ATOM     28  C   LIG    1       -4.140  -0.339   2.163  0.00  0.00    +0.418 C 
ATOM     29  F   LIG    1       -4.450   0.367   3.287  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1       -4.932  -1.448   2.198  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1       -2.866  -0.780   2.345  0.00  0.00    -0.166 F 
ENDBRANCH  23  28
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 6