REMARK  Name = BDB053336
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.379   1.977  -0.547  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -0.683   0.834  -0.234  0.00  0.00    +0.272 A 
ATOM      3  N   LIG    1        0.133  -0.271   0.056  0.00  0.00    -0.244 N 
ATOM      4  S   LIG    1       -0.783  -1.694   0.453  0.00  0.00    +0.017 S 
ATOM      5  C   LIG    1       -2.310  -0.830   0.236  0.00  0.00    +0.130 A 
ATOM      6  N   LIG    1       -3.520  -1.396   0.404  0.00  0.00    -0.246 NA
ATOM      7  C   LIG    1       -4.577  -0.574   0.194  0.00  0.00    +0.112 A 
ATOM      8  C   LIG    1       -4.466   0.767  -0.172  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -3.194   1.315  -0.335  0.00  0.00    +0.017 A 
ATOM     10  C   LIG    1       -2.106   0.484  -0.122  0.00  0.00    +0.074 A 
ENDROOT
BRANCH   3  11
ATOM     11  C   LIG    1        1.566  -0.283   0.043  0.00  0.00    +0.057 A 
ATOM     12  C   LIG    1        2.310   0.866  -0.278  0.00  0.00    +0.029 A 
ATOM     13  C   LIG    1        3.711   0.855  -0.291  0.00  0.00    +0.040 A 
ATOM     14  C   LIG    1        4.392  -0.311   0.017  0.00  0.00    +0.124 A 
ATOM     15  F   LIG    1        5.731  -0.323   0.005  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1        3.697  -1.465   0.338  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1        2.297  -1.450   0.351  0.00  0.00    +0.029 A 
ENDBRANCH   3  11
TORSDOF 1