REMARK  Name = BDB049483
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.738   0.832   0.127  0.00  0.00    +0.169 A 
ATOM      2  N   LIG    1        0.509   0.998  -0.292  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1        1.198  -0.115  -0.513  0.00  0.00    +0.223 A 
ATOM      4  N   LIG    1        0.669  -1.325  -0.349  0.00  0.00    -0.181 NA
ATOM      5  C   LIG    1       -0.596  -1.411   0.053  0.00  0.00    +0.223 A 
ATOM      6  N   LIG    1       -1.337  -0.340   0.303  0.00  0.00    -0.194 NA
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -3.217   4.226   0.715  0.00  0.00    +0.117 A 
ATOM      8  N   LIG    1       -3.719   3.118   0.162  0.00  0.00    -0.240 NA
ATOM      9  C   LIG    1       -2.880   2.062   0.010  0.00  0.00    +0.125 A 
ATOM     10  C   LIG    1       -1.533   2.037   0.380  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1       -1.038   3.213   0.976  0.00  0.00    +0.070 A 
ATOM     12  C   LIG    1       -1.898   4.318   1.124  0.00  0.00    +0.056 A 
BRANCH  11  13
ATOM     13  C   LIG    1        0.381   3.334   1.471  0.00  0.00    +0.418 C 
ATOM     14  F   LIG    1        1.282   3.570   0.479  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1        0.820   2.241   2.154  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1        0.538   4.374   2.345  0.00  0.00    -0.166 F 
ENDBRANCH  11  13
BRANCH   7  17
ATOM     17  N   LIG    1       -4.075   5.311   0.832  0.00  0.00    -0.343 N 
ATOM     18  H   LIG    1       -4.990   5.006   0.507  0.00  0.00    +0.144 HD
ATOM     19  H   LIG    1       -4.114   5.668   1.779  0.00  0.00    +0.144 HD
ENDBRANCH   7  17
ENDBRANCH   1  10
BRANCH   3  20
ATOM     20  N   LIG    1        2.513  -0.015  -0.978  0.00  0.00    -0.295 N 
ATOM     21  C   LIG    1        3.358  -1.165  -0.614  0.00  0.00    +0.136 C 
ATOM     22  C   LIG    1        4.754  -1.015  -1.237  0.00  0.00    +0.179 C 
ATOM     23  O   LIG    1        5.363   0.233  -0.872  0.00  0.00    -0.377 OA
ATOM     24  C   LIG    1        4.555   1.325  -1.338  0.00  0.00    +0.179 C 
ATOM     25  C   LIG    1        3.148   1.290  -0.724  0.00  0.00    +0.136 C 
ENDBRANCH   3  20
BRANCH   5  26
ATOM     26  N   LIG    1       -1.153  -2.677   0.257  0.00  0.00    -0.295 N 
ATOM     27  C   LIG    1       -0.508  -3.748  -0.522  0.00  0.00    +0.136 C 
ATOM     28  C   LIG    1       -1.119  -5.109  -0.158  0.00  0.00    +0.179 C 
ATOM     29  O   LIG    1       -2.545  -5.108  -0.321  0.00  0.00    -0.377 OA
ATOM     30  C   LIG    1       -3.134  -4.120   0.537  0.00  0.00    +0.179 C 
ATOM     31  C   LIG    1       -2.624  -2.709   0.206  0.00  0.00    +0.136 C 
ENDBRANCH   5  26
TORSDOF 5