REMARK  Name = BDB029449
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.416  -1.584   0.833  0.00  0.00    +0.054 A 
ATOM      2  C   LIG    1       -1.151  -1.202   0.368  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1       -0.953   0.010  -0.318  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -2.081   0.837  -0.541  0.00  0.00    +0.080 A 
ATOM      5  C   LIG    1       -3.349   0.450  -0.072  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -3.514  -0.753   0.616  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   8
ATOM      7  N   LIG    1       -2.713  -3.832   2.093  0.00  0.00    -0.191 NA
ATOM      8  C   LIG    1       -2.580  -2.828   1.526  0.00  0.00    +0.099 C 
ENDBRANCH   1   8
BRANCH   3   9
ATOM      9  N   LIG    1        0.335   0.402  -0.738  0.00  0.00    -0.312 N 
ATOM     10  H   LIG    1        0.333   1.119  -1.476  0.00  0.00    +0.152 HD
BRANCH   9  11
ATOM     11  C   LIG    1        1.632   0.153  -0.247  0.00  0.00    +0.067 A 
ATOM     12  C   LIG    1        2.730   0.340  -1.106  0.00  0.00    +0.145 A 
ATOM     13  F   LIG    1        2.519   0.790  -2.353  0.00  0.00    -0.204 F 
ATOM     14  C   LIG    1        4.038   0.073  -0.711  0.00  0.00    +0.054 A 
ATOM     15  C   LIG    1        4.271  -0.398   0.576  0.00  0.00    +0.016 A 
ATOM     16  I   LIG    1        6.211  -0.803   1.195  0.00  0.00    -0.044 I 
ATOM     17  C   LIG    1        3.206  -0.595   1.455  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1        1.895  -0.323   1.041  0.00  0.00    +0.027 A 
ENDBRANCH   9  11
ENDBRANCH   3   9
BRANCH   4  19
ATOM     19  C   LIG    1       -1.932   2.114  -1.292  0.00  0.00    +0.339 C 
ATOM     20  O   LIG    1       -0.941   2.468  -1.907  0.00  0.00    -0.245 OA
BRANCH  19  21
ATOM     21  O   LIG    1       -3.028   2.890  -1.238  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1       -2.786   3.685  -1.760  0.00  0.00    +0.295 HD
ENDBRANCH  19  21
ENDBRANCH   4  19
TORSDOF 5