REMARK  Name = BDB058871
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.879  -1.181  -0.763  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1        0.340  -0.287  -0.114  0.00  0.00    +0.259 C 
ATOM      3  N   LIG    1        1.050   0.529   0.747  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1        0.664   1.398   1.110  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.123  -0.047  -0.215  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -1.949  -1.142  -0.509  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1       -3.341  -0.994  -0.625  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1       -3.883   0.290  -0.446  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -3.065   1.389  -0.172  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -1.685   1.225  -0.059  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  C   LIG    1       -4.205  -2.147  -0.930  0.00  0.00    -0.018 A 
ATOM     12  C   LIG    1       -5.327  -2.444  -0.134  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1       -6.146  -3.538  -0.425  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1       -5.851  -4.343  -1.516  0.00  0.00    +0.123 A 
ATOM     15  F   LIG    1       -6.638  -5.391  -1.796  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1       -4.752  -4.078  -2.321  0.00  0.00    +0.039 A 
ATOM     17  C   LIG    1       -3.932  -2.985  -2.028  0.00  0.00    +0.011 A 
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  18
ATOM     18  N   LIG    1        2.575   0.539   0.548  0.00  0.00    -0.108 NA
ATOM     19  H   LIG    1        2.843  -0.204  -0.118  0.00  0.00    +0.172 HD
BRANCH  18  20
ATOM     20  S   LIG    1        3.165   2.035  -0.043  0.00  0.00    +0.074 S 
ATOM     21  O   LIG    1        3.523   1.832  -1.429  0.00  0.00    -0.152 OA
ATOM     22  O   LIG    1        2.218   3.057   0.362  0.00  0.00    -0.152 OA
BRANCH  20  23
ATOM     23  C   LIG    1        4.642   2.227   0.914  0.00  0.00    +0.107 A 
ATOM     24  C   LIG    1        4.547   2.663   2.239  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1        5.709   2.832   2.991  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        6.956   2.573   2.418  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        7.046   2.149   1.091  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        5.888   1.978   0.331  0.00  0.00    +0.028 A 
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   3  18
TORSDOF 5