REMARK  Name = BDB029541
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.401  -1.181   2.227  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1       -4.681  -1.056   1.254  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -3.448  -0.451   1.258  0.00  0.00    -0.285 N 
ATOM      4  H   LIG    1       -3.083  -0.037   2.107  0.00  0.00    +0.151 HD
ATOM      5  C   LIG    1       -2.836  -0.426  -0.057  0.00  0.00    +0.115 C 
ATOM      6  C   LIG    1       -2.667   0.993  -0.593  0.00  0.00    +0.054 C 
ATOM      7  C   LIG    1       -1.502   1.707   0.079  0.00  0.00    +0.110 C 
ATOM      8  N   LIG    1       -0.277   0.911   0.037  0.00  0.00    -0.297 N 
ATOM      9  C   LIG    1        0.924   1.627   0.135  0.00  0.00    +0.247 C 
ATOM     10  O   LIG    1        0.979   2.847   0.273  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -0.394  -0.454   0.557  0.00  0.00    +0.110 C 
ATOM     12  C   LIG    1       -1.531  -1.217  -0.108  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1       -3.931  -1.164  -0.848  0.00  0.00    +0.244 C 
ATOM     14  O   LIG    1       -3.906  -1.429  -2.041  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -4.947  -1.479  -0.002  0.00  0.00    -0.238 N 
ATOM     16  H   LIG    1       -5.791  -1.957  -0.268  0.00  0.00    +0.159 HD
ENDROOT
BRANCH   9  17
ATOM     17  C   LIG    1        2.203   0.890   0.035  0.00  0.00    +0.039 A 
ATOM     18  C   LIG    1        3.174   1.093   1.023  0.00  0.00    +0.042 A 
ATOM     19  C   LIG    1        4.403   0.414   0.929  0.00  0.00    +0.079 A 
ATOM     20  C   LIG    1        4.630  -0.429  -0.164  0.00  0.00    +0.039 A 
ATOM     21  S   LIG    1        6.204  -1.119  -0.024  0.00  0.00    -0.075 S 
ATOM     22  C   LIG    1        6.440  -0.260   1.438  0.00  0.00    +0.157 A 
ATOM     23  C   LIG    1        3.670  -0.619  -1.173  0.00  0.00    +0.018 A 
ATOM     24  N   LIG    1        5.445   0.497   1.838  0.00  0.00    -0.247 NA
ATOM     25  C   LIG    1        2.452   0.060  -1.060  0.00  0.00    +0.014 A 
ENDBRANCH   9  17
TORSDOF 1