REMARK  Name = BDB049219
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.271   1.833  -0.061  0.00  0.00    +0.079 C 
ATOM      2  C   LIG    1       -0.340   0.506   0.746  0.00  0.00    +0.053 C 
ATOM      3  C   LIG    1        1.108  -0.030   0.723  0.00  0.00    +0.094 C 
ATOM      4  N   LIG    1        1.817   0.775  -0.288  0.00  0.00    -0.296 NA
ATOM      5  C   LIG    1        1.242   2.118  -0.149  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -1.369  -0.455   0.197  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -2.722  -0.593   0.653  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -3.331  -1.592  -0.113  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -4.665  -1.981   0.090  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1       -5.395  -1.332   1.090  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -4.816  -0.328   1.860  0.00  0.00    +0.001 A 
ATOM     12  N   LIG    1       -2.387  -2.031  -1.015  0.00  0.00    -0.349 N 
ATOM     13  C   LIG    1       -2.606  -3.059  -2.008  0.00  0.00    +0.149 C 
ATOM     14  C   LIG    1       -3.486   0.050   1.651  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1       -1.213  -1.351  -0.845  0.00  0.00    +0.090 A 
ENDBRANCH   2   6
BRANCH   1  17
ATOM     16  C   LIG    1       -1.326   3.961  -0.569  0.00  0.00    +0.104 C 
ATOM     17  N   LIG    1       -1.148   2.917   0.441  0.00  0.00    -0.304 NA
ATOM     18  C   LIG    1       -0.727   3.511   1.707  0.00  0.00    +0.104 C 
ENDBRANCH   1  17
BRANCH   4  19
ATOM     19  C   LIG    1        3.272   0.775  -0.106  0.00  0.00    +0.122 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.905  -0.563  -0.405  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        4.769  -1.163   0.514  0.00  0.00    +0.128 A 
ATOM     22  F   LIG    1        5.030  -0.560   1.683  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1        5.377  -2.387   0.246  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1        5.129  -3.032  -0.965  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1        4.276  -2.447  -1.900  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        3.670  -1.219  -1.625  0.00  0.00    +0.008 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4