REMARK  Name = BDB059917
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.646   0.142  -0.213  0.00  0.00    +0.029 A 
ATOM      2  C   LIG    1        0.849  -0.722   0.590  0.00  0.00    +0.103 A 
ATOM      3  N   LIG    1       -0.505  -0.737   0.311  0.00  0.00    -0.269 N 
ATOM      4  C   LIG    1       -1.081  -1.670   1.134  0.00  0.00    +0.209 A 
ATOM      5  N   LIG    1       -0.210  -2.202   1.963  0.00  0.00    -0.217 NA
ATOM      6  C   LIG    1       -1.097   0.069  -0.678  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.353   0.844  -1.419  0.00  0.00    -0.223 NA
ATOM      8  C   LIG    1        1.003  -1.618   1.633  0.00  0.00    +0.202 A 
ATOM      9  C   LIG    1        1.003   0.861  -1.161  0.00  0.00    +0.125 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        5.809   0.616  -0.026  0.00  0.00    +0.176 A 
ATOM     11  N   LIG    1        5.315  -0.240  -0.957  0.00  0.00    -0.236 NA
ATOM     12  C   LIG    1        3.968  -0.369  -0.973  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        3.103   0.317  -0.118  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        3.666   1.189   0.820  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        5.049   1.340   0.879  0.00  0.00    +0.048 A 
BRANCH  10  17
ATOM     16  C   LIG    1        8.140  -0.866  -0.556  0.00  0.00    +0.202 C 
ATOM     17  S   LIG    1        7.585   0.718   0.015  0.00  0.00    +0.011 S 
ATOM     18  O   LIG    1        7.986   1.722  -0.954  0.00  0.00    -0.168 OA
ATOM     19  O   LIG    1        7.981   0.839   1.408  0.00  0.00    -0.168 OA
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   8  20
ATOM     20  S   LIG    1        2.470  -2.016   2.469  0.00  0.00    +0.013 S 
ATOM     21  O   LIG    1        2.822  -0.803   3.179  0.00  0.00    -0.168 OA
ATOM     22  O   LIG    1        3.323  -2.604   1.456  0.00  0.00    -0.168 OA
ATOM     23  C   LIG    1        1.996  -3.263   3.635  0.00  0.00    +0.202 C 
ENDBRANCH   8  20
BRANCH   6  24
ATOM     24  N   LIG    1       -2.455   0.033  -0.892  0.00  0.00    -0.310 N 
ATOM     25  H   LIG    1       -2.631   0.456  -1.802  0.00  0.00    +0.149 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -3.334   0.675   0.081  0.00  0.00    +0.143 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.763   0.435  -0.301  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1       -5.459   1.262  -1.177  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -5.015   2.463  -1.926  0.00  0.00    +0.080 C 
ATOM     30  C   LIG    1       -6.374   2.977  -2.403  0.00  0.00    +0.234 C 
ATOM     31  O   LIG    1       -7.312   1.877  -2.417  0.00  0.00    -0.491 OA
ATOM     32  C   LIG    1       -6.771   0.977  -1.536  0.00  0.00    +0.124 A 
ATOM     33  C   LIG    1       -7.445  -0.129  -1.058  0.00  0.00    +0.049 A 
ATOM     34  C   LIG    1       -6.769  -0.970  -0.176  0.00  0.00    +0.042 A 
ATOM     35  C   LIG    1       -5.447  -0.686   0.191  0.00  0.00    +0.129 A 
ATOM     36  F   LIG    1       -4.824  -1.521   1.036  0.00  0.00    -0.205 F 
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   6  24
TORSDOF 6