REMARK  Name = BDB050583
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.567   0.312   0.710  0.00  0.00    -0.294 N 
ATOM      2  H   LIG    1       -1.492   1.279   1.009  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -2.858  -0.023   0.263  0.00  0.00    +0.034 A 
ATOM      4  C   LIG    1       -3.954   0.492   0.975  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -5.279   0.176   0.621  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1       -5.509  -0.672  -0.464  0.00  0.00    +0.131 A 
ATOM      7  C   LIG    1       -4.434  -1.197  -1.179  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1       -3.122  -0.876  -0.813  0.00  0.00    +0.027 A 
BRANCH   5   9
ATOM      9  C   LIG    1       -6.404   0.723   1.421  0.00  0.00    +0.340 C 
ATOM     10  O   LIG    1       -7.511   0.250   1.586  0.00  0.00    -0.245 OA
BRANCH   9  11
ATOM     11  O   LIG    1       -6.071   1.894   2.005  0.00  0.00    -0.477 OA
ATOM     12  H   LIG    1       -6.895   2.148   2.472  0.00  0.00    +0.295 HD
ENDBRANCH   9  11
ENDBRANCH   5   9
BRANCH   6  13
ATOM     13  O   LIG    1       -6.780  -0.975  -0.856  0.00  0.00    -0.506 OA
ATOM     14  H   LIG    1       -6.761  -1.645  -1.558  0.00  0.00    +0.292 HD
ENDBRANCH   6  13
ENDBRANCH   1   3
BRANCH   1  17
ATOM     15  C   LIG    1        1.855  -0.395   0.324  0.00  0.00    +0.080 A 
ATOM     16  N   LIG    1        0.745   0.411   0.536  0.00  0.00    -0.225 NA
ATOM     17  C   LIG    1       -0.371  -0.284   0.490  0.00  0.00    +0.163 A 
ATOM     18  S   LIG    1       -0.129  -1.979   0.269  0.00  0.00    -0.060 S 
ATOM     19  C   LIG    1        1.562  -1.733   0.165  0.00  0.00    +0.076 A 
BRANCH  15  26
ATOM     20  C   LIG    1        6.752  -0.672  -0.830  0.00  0.00    +0.047 C 
ATOM     21  C   LIG    1        5.580   0.067  -0.259  0.00  0.00    -0.015 A 
ATOM     22  C   LIG    1        5.757   1.324   0.319  0.00  0.00    +0.126 A 
ATOM     23  F   LIG    1        6.975   1.883   0.344  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1        4.688   2.018   0.873  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1        3.415   1.446   0.863  0.00  0.00    +0.013 A 
ATOM     26  C   LIG    1        3.202   0.173   0.309  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        4.298  -0.507  -0.251  0.00  0.00    +0.016 A 
ENDBRANCH  15  26
ENDBRANCH   1  17
TORSDOF 6