REMARK  Name = BDB048789
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.582  -0.956  -0.884  0.00  0.00    +0.235 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.792  -1.278  -1.756  0.00  0.00    +0.097 C 
BRANCH   2   5
ATOM      3  C   LIG    1        3.438  -3.874  -0.741  0.00  0.00    +0.053 C 
ATOM      4  C   LIG    1        3.748  -2.434  -0.536  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1        3.058  -1.314  -0.965  0.00  0.00    +0.055 A 
ATOM      6  N   LIG    1        3.628  -0.106  -0.596  0.00  0.00    -0.243 NA
ATOM      7  C   LIG    1        4.727  -0.298   0.110  0.00  0.00    +0.112 A 
ATOM      8  S   LIG    1        5.149  -1.953   0.323  0.00  0.00    -0.072 S 
BRANCH   7   9
ATOM      9  C   LIG    1        5.572   0.796   0.613  0.00  0.00    +0.042 A 
ATOM     10  C   LIG    1        6.345   0.711   1.777  0.00  0.00    +0.133 A 
ATOM     11  F   LIG    1        6.343  -0.397   2.534  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1        7.128   1.782   2.212  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1        7.146   2.972   1.489  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1        6.375   3.088   0.335  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        5.593   2.012  -0.095  0.00  0.00    +0.013 A 
ENDBRANCH   7   9
ENDBRANCH   2   5
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  O   LIG    1       -0.589  -1.044  -1.700  0.00  0.00    -0.492 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -1.789  -0.786  -1.093  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1       -1.969  -0.435   0.247  0.00  0.00    +0.049 A 
ATOM     19  C   LIG    1       -3.259  -0.200   0.703  0.00  0.00    -0.040 A 
ATOM     20  C   LIG    1       -3.682   0.146   2.098  0.00  0.00    +0.036 C 
ATOM     21  C   LIG    1       -5.097   0.691   1.854  0.00  0.00    +0.013 C 
ATOM     22  C   LIG    1       -5.639  -0.058   0.617  0.00  0.00    +0.030 C 
ATOM     23  C   LIG    1       -4.368  -0.317  -0.145  0.00  0.00    -0.040 A 
ATOM     24  C   LIG    1       -4.202  -0.681  -1.469  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1       -2.905  -0.906  -1.939  0.00  0.00    +0.046 A 
BRANCH  22  26
ATOM     26  C   LIG    1       -6.764   0.659  -0.122  0.00  0.00    +0.128 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -6.368   1.972  -0.740  0.00  0.00    +0.305 C 
ATOM     28  O   LIG    1       -6.202   3.029  -0.154  0.00  0.00    -0.251 OA
BRANCH  27  29
ATOM     29  O   LIG    1       -6.215   1.898  -2.076  0.00  0.00    -0.481 OA
ATOM     30  H   LIG    1       -5.924   2.799  -2.331  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  22  26
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 8