REMARK  Name = BDB005988
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.885   0.559   0.833  0.00  0.00    +0.079 C 
ATOM      2  C   LIG    1       -0.093   0.374  -0.469  0.00  0.00    +0.038 C 
ATOM      3  C   LIG    1        1.405   0.339  -0.181  0.00  0.00    +0.086 C 
ATOM      4  N   LIG    1        1.781  -0.818   0.649  0.00  0.00    -0.298 NA
ATOM      5  C   LIG    1        0.756  -1.202   1.630  0.00  0.00    +0.086 C 
ATOM      6  C   LIG    1       -0.169  -0.060   2.043  0.00  0.00    +0.038 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -5.739   0.381  -0.544  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1       -4.460   0.086  -0.085  0.00  0.00    +0.054 A 
ATOM      9  C   LIG    1       -3.262   0.920   0.132  0.00  0.00    +0.248 C 
ATOM     10  N   LIG    1       -2.272   0.111   0.676  0.00  0.00    -0.290 N 
ATOM     11  C   LIG    1       -2.667  -1.283   0.707  0.00  0.00    +0.144 C 
ATOM     12  O   LIG    1       -3.157   2.103  -0.136  0.00  0.00    -0.270 OA
ATOM     13  C   LIG    1       -4.090  -1.226   0.260  0.00  0.00    -0.017 A 
ATOM     14  C   LIG    1       -4.978  -2.285   0.155  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1       -6.263  -2.017  -0.304  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -6.636  -0.706  -0.648  0.00  0.00    +0.014 A 
BRANCH   7  20
ATOM     17  N   LIG    1       -5.553   2.840  -0.726  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1       -5.923   3.708  -1.086  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1       -4.567   2.834  -0.467  0.00  0.00    +0.145 HD
ATOM     20  C   LIG    1       -6.283   1.712  -0.936  0.00  0.00    +0.242 C 
ATOM     21  O   LIG    1       -7.398   1.808  -1.441  0.00  0.00    -0.270 OA
ENDBRANCH   7  20
ENDBRANCH   1  10
BRANCH   4  22
ATOM     22  C   LIG    1        3.099  -0.632   1.280  0.00  0.00    +0.119 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.234  -0.512   0.283  0.00  0.00    -0.033 A 
ATOM     24  C   LIG    1        5.018   0.650   0.225  0.00  0.00    +0.017 A 
ATOM     25  C   LIG    1        6.072   0.766  -0.698  0.00  0.00    +0.055 A 
ATOM     26  C   LIG    1        6.345  -0.309  -1.556  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1        5.572  -1.469  -1.505  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        4.524  -1.569  -0.592  0.00  0.00    +0.005 A 
BRANCH  25  29
ATOM     29  C   LIG    1        6.919   2.014  -0.737  0.00  0.00    +0.417 C 
ATOM     30  F   LIG    1        7.474   2.250  -1.958  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1        7.957   1.962   0.143  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        6.220   3.142  -0.423  0.00  0.00    -0.166 F 
ENDBRANCH  25  29
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 5