REMARK  Name = BDB029486
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.462   1.941  -0.975  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -4.496   1.321  -0.538  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -4.003   1.579   0.715  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1       -4.435   2.386   1.147  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1       -2.693   1.388   1.079  0.00  0.00    +0.227 C 
ATOM      6  O   LIG    1       -2.146   2.155   1.865  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -2.007   0.189   0.448  0.00  0.00    +0.065 C 
ATOM      8  C   LIG    1       -0.493   0.194   0.711  0.00  0.00    +0.124 C 
ATOM      9  N   LIG    1       -0.121  -1.218   0.766  0.00  0.00    -0.297 N 
ATOM     10  C   LIG    1        1.127  -1.772   0.551  0.00  0.00    +0.247 C 
ATOM     11  O   LIG    1        1.306  -2.978   0.399  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1       -1.289  -2.070   0.869  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1       -2.438  -1.113   1.149  0.00  0.00    +0.036 C 
ATOM     14  C   LIG    1       -2.311   0.204  -1.059  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1       -3.809   0.234  -1.329  0.00  0.00    +0.097 C 
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1        2.300  -0.873   0.468  0.00  0.00    +0.038 A 
ATOM     17  C   LIG    1        3.131  -0.980  -0.655  0.00  0.00    +0.030 A 
ATOM     18  C   LIG    1        4.252  -0.137  -0.726  0.00  0.00    +0.040 A 
ATOM     19  C   LIG    1        4.558   0.777   0.287  0.00  0.00    +0.078 A 
ATOM     20  N   LIG    1        5.692   1.542   0.074  0.00  0.00    -0.247 NA
ATOM     21  C   LIG    1        6.237   1.208  -1.073  0.00  0.00    +0.157 A 
ATOM     22  C   LIG    1        3.718   0.844   1.418  0.00  0.00    +0.029 A 
ATOM     23  S   LIG    1        5.443  -0.017  -1.967  0.00  0.00    -0.075 S 
ATOM     24  C   LIG    1        2.597   0.012   1.506  0.00  0.00    +0.015 A 
ENDBRANCH  10  16
TORSDOF 1