REMARK  Name = BDB021888
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.331   1.502   0.376  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1        1.917   0.382   0.638  0.00  0.00    +0.304 C 
ATOM      3  N   LIG    1        0.691   0.158   1.234  0.00  0.00    -0.296 N 
ATOM      4  H   LIG    1        0.231  -0.703   0.966  0.00  0.00    +0.151 HD
ATOM      5  N   LIG    1        2.568  -0.813   0.420  0.00  0.00    -0.269 N 
ATOM      6  H   LIG    1        2.173  -1.603   0.907  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.237   1.260   1.490  0.00  0.00    +0.077 C 
ATOM      8  C   LIG    1       -1.290   0.833   2.525  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1       -2.582   0.299   1.888  0.00  0.00    +0.086 C 
ATOM     10  N   LIG    1       -2.293  -0.340   0.608  0.00  0.00    -0.298 NA
ATOM     11  C   LIG    1       -1.821   0.627  -0.394  0.00  0.00    +0.086 C 
ATOM     12  C   LIG    1       -0.923   1.722   0.203  0.00  0.00    +0.038 C 
BRANCH  10  13
ATOM     13  C   LIG    1       -3.356  -1.229   0.116  0.00  0.00    +0.119 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -4.701  -0.600  -0.179  0.00  0.00    -0.033 A 
ATOM     15  C   LIG    1       -5.662  -0.452   0.833  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1       -6.903   0.125   0.559  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -7.203   0.556  -0.732  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -6.263   0.408  -1.749  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -5.021  -0.168  -1.476  0.00  0.00    +0.005 A 
ENDBRANCH  13  14
ENDBRANCH  10  13
ENDBRANCH   3   7
BRANCH   5  20
ATOM     20  C   LIG    1        3.799  -1.017  -0.234  0.00  0.00    +0.036 A 
ATOM     21  C   LIG    1        4.489  -0.018  -0.926  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1        5.711  -0.295  -1.554  0.00  0.00    +0.018 A 
ATOM     23  C   LIG    1        6.229  -1.593  -1.512  0.00  0.00    +0.015 A 
ATOM     24  C   LIG    1        5.545  -2.597  -0.830  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1        4.336  -2.309  -0.194  0.00  0.00    +0.023 A 
BRANCH  22  26
ATOM     26  S   LIG    1        6.552   1.001  -2.443  0.00  0.00    -0.016 S 
BRANCH  26  27
ATOM     27  C   LIG    1        8.003   1.178  -1.403  0.00  0.00    +0.448 C 
ATOM     28  F   LIG    1        8.773   2.213  -1.821  0.00  0.00    -0.160 F 
ATOM     29  F   LIG    1        8.783   0.070  -1.435  0.00  0.00    -0.160 F 
ATOM     30  F   LIG    1        7.683   1.414  -0.110  0.00  0.00    -0.160 F 
ENDBRANCH  26  27
ENDBRANCH  22  26
ENDBRANCH   5  20
TORSDOF 6