REMARK  Name = BDB029522
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -6.008  -0.477  -1.526  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1       -5.037  -0.138  -0.877  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -3.731  -0.304  -1.267  0.00  0.00    -0.285 N 
ATOM      4  H   LIG    1       -3.507  -0.767  -2.139  0.00  0.00    +0.151 HD
ATOM      5  C   LIG    1       -2.782   0.153  -0.265  0.00  0.00    +0.115 C 
ATOM      6  C   LIG    1       -1.960   1.344  -0.760  0.00  0.00    +0.054 C 
ATOM      7  C   LIG    1       -0.600   0.902  -1.290  0.00  0.00    +0.109 C 
ATOM      8  N   LIG    1        0.136   0.147  -0.282  0.00  0.00    -0.309 N 
ATOM      9  C   LIG    1       -0.605  -0.501   0.801  0.00  0.00    +0.109 C 
ATOM     10  C   LIG    1       -1.945  -1.006   0.274  0.00  0.00    +0.054 C 
ATOM     11  C   LIG    1       -3.783   0.624   0.807  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1       -3.501   1.077   1.906  0.00  0.00    -0.273 OA
ATOM     13  N   LIG    1       -5.048   0.448   0.341  0.00  0.00    -0.238 N 
ATOM     14  H   LIG    1       -5.885   0.649   0.861  0.00  0.00    +0.159 HD
ENDROOT
BRANCH   8  15
ATOM     15  C   LIG    1        1.500   0.038  -0.291  0.00  0.00    +0.164 A 
ATOM     16  S   LIG    1        2.498   0.612  -1.590  0.00  0.00    -0.051 S 
ATOM     17  C   LIG    1        3.904   0.072  -0.778  0.00  0.00    +0.060 A 
ATOM     18  C   LIG    1        3.527  -0.516   0.426  0.00  0.00    +0.169 A 
ATOM     19  N   LIG    1        4.421  -1.047   1.299  0.00  0.00    -0.235 NA
ATOM     20  C   LIG    1        5.712  -0.965   0.924  0.00  0.00    +0.113 A 
ATOM     21  C   LIG    1        6.172  -0.397  -0.253  0.00  0.00    +0.021 A 
ATOM     22  C   LIG    1        5.252   0.145  -1.146  0.00  0.00    +0.020 A 
ATOM     23  N   LIG    1        2.176  -0.531   0.683  0.00  0.00    -0.205 NA
ENDBRANCH   8  15
TORSDOF 1