REMARK  Name = BDB033101
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.540  -0.937  -1.240  0.00  0.00    +0.110 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.386  -0.303  -0.211  0.00  0.00    +0.032 C 
ATOM      3  C   LIG    1       -1.795  -0.875  -0.274  0.00  0.00    +0.113 C 
ATOM      4  N   LIG    1       -2.316  -0.601   1.042  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1       -1.299  -0.493   1.980  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1       -1.433  -0.409   3.190  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1        0.019  -0.549   1.246  0.00  0.00    +0.102 C 
BRANCH   4   8
ATOM      8  C   LIG    1       -3.697  -0.855   1.407  0.00  0.00    +0.143 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -4.648   0.096   0.711  0.00  0.00    -0.018 A 
ATOM     10  C   LIG    1       -5.527  -0.308  -0.320  0.00  0.00    +0.059 A 
ATOM     11  C   LIG    1       -6.372   0.651  -0.910  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1       -6.350   1.983  -0.497  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -5.482   2.380   0.514  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -4.638   1.446   1.112  0.00  0.00    +0.006 A 
BRANCH  10  15
ATOM     15  C   LIG    1       -5.586  -1.740  -0.803  0.00  0.00    +0.418 C 
ATOM     16  F   LIG    1       -5.966  -2.608   0.174  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1       -6.458  -1.936  -1.832  0.00  0.00    -0.166 F 
ATOM     18  F   LIG    1       -4.381  -2.188  -1.257  0.00  0.00    -0.166 F 
ENDBRANCH  10  15
ENDBRANCH   8   9
ENDBRANCH   4   8
ENDBRANCH   1   2
BRANCH   1  21
ATOM     19  O   LIG    1        2.881  -1.807   0.094  0.00  0.00    -0.270 OA
ATOM     20  C   LIG    1        2.923  -0.774  -0.568  0.00  0.00    +0.248 C 
ATOM     21  N   LIG    1        1.837  -0.297  -1.263  0.00  0.00    -0.311 N 
ATOM     22  H   LIG    1        1.951   0.585  -1.758  0.00  0.00    +0.149 HD
BRANCH  20  23
ATOM     23  C   LIG    1        4.190   0.023  -0.640  0.00  0.00    +0.079 A 
ATOM     24  C   LIG    1        4.329   1.240  -1.325  0.00  0.00    +0.129 A 
ATOM     25  C   LIG    1        5.555   1.912  -1.340  0.00  0.00    +0.047 A 
ATOM     26  C   LIG    1        6.656   1.376  -0.668  0.00  0.00    +0.016 A 
ATOM     27  C   LIG    1        6.545   0.168   0.033  0.00  0.00    +0.056 A 
ATOM     28  C   LIG    1        5.309  -0.501   0.033  0.00  0.00    +0.029 A 
BRANCH  27  29
ATOM     29  C   LIG    1        7.736  -0.430   0.744  0.00  0.00    +0.417 C 
ATOM     30  F   LIG    1        7.406  -1.060   1.903  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1        8.675   0.499   1.080  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        8.382  -1.352  -0.020  0.00  0.00    -0.166 F 
ENDBRANCH  27  29
BRANCH  24  33
ATOM     33  O   LIG    1        3.270   1.801  -1.994  0.00  0.00    -0.506 OA
ATOM     34  H   LIG    1        3.557   2.642  -2.391  0.00  0.00    +0.292 HD
ENDBRANCH  24  33
ENDBRANCH  20  23
ENDBRANCH   1  21
TORSDOF 8