REMARK  Name = BDB055157
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.087   0.265  -0.157  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1       -1.009  -0.600   0.014  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        0.084  -0.206   0.787  0.00  0.00    +0.010 A 
ATOM      4  C   LIG    1        0.115   1.065   1.376  0.00  0.00    -0.010 A 
ATOM      5  C   LIG    1       -0.953   1.946   1.150  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -2.046   1.550   0.377  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -3.122  -0.115  -0.960  0.00  0.00    -0.475 OA
BRANCH   7   9
ATOM      8  C   LIG    1       -5.112   0.382   0.395  0.00  0.00    +0.067 C 
ATOM      9  C   LIG    1       -4.268  -0.696  -0.297  0.00  0.00    +0.200 C 
ATOM     10  C   LIG    1       -3.937  -1.833   0.679  0.00  0.00    +0.067 C 
BRANCH   9  11
ATOM     11  C   LIG    1       -5.098  -1.302  -1.439  0.00  0.00    +0.348 C 
ATOM     12  O   LIG    1       -6.273  -1.082  -1.693  0.00  0.00    -0.247 OA
BRANCH  11  13
ATOM     13  O   LIG    1       -4.411  -2.182  -2.204  0.00  0.00    -0.478 OA
ATOM     14  H   LIG    1       -5.051  -2.443  -2.897  0.00  0.00    +0.295 HD
ENDBRANCH  11  13
ENDBRANCH   9  11
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   4  15
ATOM     15  C   LIG    1        1.306   1.502   2.197  0.00  0.00    +0.266 C 
BRANCH  15  16
ATOM     16  O   LIG    1        2.130   2.399   1.458  0.00  0.00    -0.467 OA
BRANCH  16  17
ATOM     17  C   LIG    1        3.092   1.839   0.724  0.00  0.00    +0.258 A 
ATOM     18  S   LIG    1        4.017   2.796  -0.350  0.00  0.00    -0.029 S 
ATOM     19  C   LIG    1        4.913   1.403  -0.817  0.00  0.00    +0.043 A 
ATOM     20  C   LIG    1        4.440   0.301  -0.102  0.00  0.00    +0.082 A 
ATOM     21  C   LIG    1        5.035  -0.958  -0.324  0.00  0.00    +0.029 A 
ATOM     22  C   LIG    1        6.078  -1.081  -1.248  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        6.532   0.031  -1.950  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        5.960   1.290  -1.748  0.00  0.00    +0.017 A 
ATOM     25  N   LIG    1        3.406   0.565   0.780  0.00  0.00    -0.206 NA
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   4  15
TORSDOF 7