REMARK  Name = BDB036236
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.594   0.061   0.502  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        1.252  -0.456  -0.778  0.00  0.00    +0.150 A 
ATOM      3  N   LIG    1       -0.043  -0.905  -0.941  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1       -0.129  -1.423  -2.212  0.00  0.00    +0.121 A 
ATOM      5  CA  LIG    1        1.107  -1.214  -2.784  0.00  0.00    +0.085 A 
ATOM      6  C   LIG    1       -1.007  -0.828   0.082  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.677  -0.365   1.259  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.957  -0.607  -1.882  0.00  0.00    -0.230 NA
ATOM      9  C   LIG    1        0.622   0.063   1.438  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        5.404   1.524   1.577  0.00  0.00    +0.215 A 
ATOM     11  N   LIG    1        5.258   0.189   1.438  0.00  0.00    -0.218 NA
ATOM     12  C   LIG    1        4.032  -0.280   1.083  0.00  0.00    +0.050 A 
ATOM     13  C   LIG    1        3.932  -1.771   0.931  0.00  0.00    +0.066 C 
ATOM     14  C   LIG    1        2.931   0.563   0.871  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1        3.125   1.942   1.028  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1        4.378   2.430   1.385  0.00  0.00    +0.068 A 
BRANCH  10  18
ATOM     17  C   LIG    1        7.640   1.062   2.079  0.00  0.00    +0.279 C 
ATOM     18  O   LIG    1        6.628   2.053   1.934  0.00  0.00    -0.480 OA
ENDBRANCH  10  18
ENDBRANCH   1  14
BRANCH   6  19
ATOM     19  N   LIG    1       -2.304  -1.243  -0.126  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -2.788  -1.244   0.771  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -3.127  -0.613  -1.153  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.494  -0.292  -0.620  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1       -4.715   0.720   0.311  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -3.755   1.616   1.002  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1       -4.739   2.622   1.598  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1       -6.037   1.995   1.715  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1       -5.991   0.979   0.797  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1       -7.095   0.256   0.394  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1       -6.900  -0.757  -0.545  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -5.615  -1.020  -1.041  0.00  0.00    +0.129 A 
ATOM     31  F   LIG    1       -5.470  -2.002  -1.941  0.00  0.00    -0.205 F 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   6  19
BRANCH   5  32
ATOM     32  C   LIG    1        1.595  -1.553  -4.150  0.00  0.00    +0.212 C 
BRANCH  32  33
ATOM     33  O   LIG    1        2.628  -0.661  -4.565  0.00  0.00    -0.389 OA
ATOM     34  H   LIG    1        3.038  -0.356  -3.731  0.00  0.00    +0.210 HD
ENDBRANCH  32  33
ENDBRANCH   5  32
TORSDOF 7