REMARK  Name = BDB046282
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.384   0.872   0.669  0.00  0.00    +0.122 A 
ATOM      2  N   LIG    1       -1.381   0.337  -0.072  0.00  0.00    -0.230 NA
ATOM      3  C   LIG    1       -2.668   0.515   0.321  0.00  0.00    +0.097 A 
ATOM      4  C   LIG    1       -3.011   1.242   1.457  0.00  0.00    +0.068 A 
ATOM      5  N   LIG    1       -4.353   1.399   1.823  0.00  0.00    -0.320 N 
ATOM      6  H   LIG    1       -4.604   1.929   2.648  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1       -5.402   0.863   1.110  0.00  0.00    +0.257 A 
ATOM      8  C   LIG    1       -5.072   0.080  -0.114  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -6.114  -0.480  -0.867  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -5.824  -1.216  -2.015  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -4.499  -1.391  -2.410  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.461  -0.832  -1.658  0.00  0.00    +0.011 A 
ATOM     13  O   LIG    1       -6.561   1.028   1.475  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1       -2.002   1.810   2.214  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -3.728  -0.087  -0.496  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1       -0.679   1.625   1.809  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  20
ATOM     17  C   LIG    1        3.365  -0.819  -0.492  0.00  0.00    +0.059 C 
ATOM     18  C   LIG    1        2.582   0.097  -1.453  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1        1.102   0.103  -1.084  0.00  0.00    +0.108 C 
ATOM     20  N   LIG    1        0.929   0.693   0.247  0.00  0.00    -0.315 N 
ATOM     21  C   LIG    1        1.991   0.483   1.234  0.00  0.00    +0.108 C 
ATOM     22  C   LIG    1        2.781  -0.789   0.936  0.00  0.00    +0.038 C 
BRANCH  17  24
ATOM     23  C   LIG    1        5.308   0.628   0.025  0.00  0.00    +0.104 C 
ATOM     24  N   LIG    1        4.822  -0.590  -0.622  0.00  0.00    -0.305 NA
ATOM     25  C   LIG    1        5.600  -1.746  -0.172  0.00  0.00    +0.104 C 
ENDBRANCH  17  24
ENDBRANCH   1  20
TORSDOF 2