REMARK  Name = BDB020174
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.006  -0.887   1.433  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1       -0.079   0.395   0.880  0.00  0.00    +0.058 A 
ATOM      3  C   LIG    1       -1.310   0.934   0.503  0.00  0.00    +0.122 A 
ATOM      4  C   LIG    1       -2.477   0.192   0.698  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -2.428  -1.093   1.267  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1       -1.182  -1.621   1.637  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        2.411  -1.071   1.177  0.00  0.00    -0.305 N 
ATOM      8  H   LIG    1        2.317  -0.486   0.359  0.00  0.00    +0.150 HD
ATOM      9  C   LIG    1        1.286  -1.501   1.844  0.00  0.00    +0.245 C 
ATOM     10  O   LIG    1        1.304  -2.364   2.715  0.00  0.00    -0.270 OA
BRANCH   7  11
ATOM     11  C   LIG    1        3.723  -1.637   1.444  0.00  0.00    +0.100 C 
ATOM     12  C   LIG    1        3.881  -3.010   0.782  0.00  0.00    +0.033 C 
BRANCH  11  19
ATOM     13  C   LIG    1        6.549   0.647  -2.122  0.00  0.00    +0.047 C 
ATOM     14  C   LIG    1        6.129   0.478  -0.693  0.00  0.00    -0.015 A 
ATOM     15  C   LIG    1        6.717   1.259   0.303  0.00  0.00    +0.126 A 
ATOM     16  F   LIG    1        7.648   2.167  -0.024  0.00  0.00    -0.205 F 
ATOM     17  C   LIG    1        6.352   1.121   1.637  0.00  0.00    +0.039 A 
ATOM     18  C   LIG    1        5.388   0.179   1.994  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1        4.790  -0.640   1.021  0.00  0.00    -0.027 A 
ATOM     20  C   LIG    1        5.165  -0.472  -0.325  0.00  0.00    +0.011 A 
ENDBRANCH  11  19
ENDBRANCH   7  11
ENDBRANCH   1   9
BRANCH   3  21
ATOM     21  O   LIG    1       -1.238   2.190  -0.034  0.00  0.00    -0.492 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -2.456   2.771  -0.504  0.00  0.00    +0.232 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.202   4.130  -1.097  0.00  0.00    +0.027 C 
ATOM     24  C   LIG    1       -0.942   4.443  -1.864  0.00  0.00    +0.007 C 
ATOM     25  C   LIG    1       -1.177   5.071  -0.515  0.00  0.00    +0.007 C 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   3  21
BRANCH   5  26
ATOM     26  C   LIG    1       -3.695  -1.890   1.501  0.00  0.00    +0.160 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -4.421  -2.115   0.268  0.00  0.00    -0.313 N 
ATOM     28  C   LIG    1       -5.510  -1.363  -0.192  0.00  0.00    +0.204 A 
ATOM     29  N   LIG    1       -6.125  -0.379   0.358  0.00  0.00    -0.268 NA
ATOM     30  H   LIG    1       -5.723  -0.187   1.275  0.00  0.00    +0.190 HD
ATOM     31  N   LIG    1       -5.798  -1.913  -1.444  0.00  0.00    -0.320 N 
ATOM     32  C   LIG    1       -6.804  -1.378  -2.327  0.00  0.00    +0.152 C 
ATOM     33  C   LIG    1       -4.898  -2.923  -1.740  0.00  0.00    +0.106 A 
ATOM     34  C   LIG    1       -4.064  -3.051  -0.700  0.00  0.00    +0.107 A 
ENDBRANCH  26  27
ENDBRANCH   5  26
TORSDOF 8