REMARK  Name = BDB002055
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.030  -3.156   0.206  0.00  0.00    +0.061 S 
ATOM      2  O   LIG    1       -0.334  -3.437  -1.167  0.00  0.00    -0.153 OA
ATOM      3  O   LIG    1        0.213  -4.221   1.168  0.00  0.00    -0.153 OA
ENDROOT
BRANCH   1   9
ATOM      4  O   LIG    1       -5.918  -1.159  -0.493  0.00  0.00    -0.267 OA
ATOM      5  C   LIG    1       -5.064  -0.389  -0.052  0.00  0.00    +0.282 C 
ATOM      6  N   LIG    1       -3.813  -0.882   0.340  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1       -3.608  -2.332   0.322  0.00  0.00    +0.125 C 
ATOM      8  C   LIG    1       -2.431  -2.756   1.206  0.00  0.00    +0.128 C 
ATOM      9  N   LIG    1       -1.142  -2.077   0.826  0.00  0.00    -0.174 NA
ATOM     10  C   LIG    1       -1.340  -0.826   0.024  0.00  0.00    +0.128 C 
ATOM     11  C   LIG    1       -2.601  -0.067   0.463  0.00  0.00    +0.125 C 
BRANCH   5  12
ATOM     12  C   LIG    1       -5.320   1.034   0.098  0.00  0.00    +0.189 A 
ATOM     13  O   LIG    1       -6.126   1.641  -0.831  0.00  0.00    -0.458 OA
ATOM     14  C   LIG    1       -6.242   2.947  -0.484  0.00  0.00    +0.196 A 
ATOM     15  C   LIG    1       -5.536   3.204   0.665  0.00  0.00    +0.042 A 
ATOM     16  C   LIG    1       -4.950   1.972   1.048  0.00  0.00    +0.054 A 
ENDBRANCH   5  12
ENDBRANCH   1   9
BRANCH   1  17
ATOM     17  C   LIG    1        1.510  -2.175   0.215  0.00  0.00    +0.106 A 
ATOM     18  C   LIG    1        2.088  -1.834   1.442  0.00  0.00    +0.032 A 
ATOM     19  C   LIG    1        3.252  -1.065   1.460  0.00  0.00    +0.048 A 
ATOM     20  C   LIG    1        3.824  -0.635   0.260  0.00  0.00    +0.129 A 
ATOM     21  C   LIG    1        3.258  -1.005  -0.965  0.00  0.00    +0.048 A 
ATOM     22  C   LIG    1        2.094  -1.775  -0.991  0.00  0.00    +0.032 A 
BRANCH  20  23
ATOM     23  O   LIG    1        4.991   0.089   0.356  0.00  0.00    -0.456 OA
BRANCH  23  24
ATOM     24  C   LIG    1        5.126   1.179  -0.472  0.00  0.00    +0.128 A 
ATOM     25  C   LIG    1        6.309   1.285  -1.203  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1        6.515   2.385  -2.035  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        5.544   3.384  -2.122  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        4.371   3.289  -1.372  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        4.163   2.189  -0.539  0.00  0.00    +0.046 A 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   1  17
TORSDOF 5