REMARK  Name = BDB046101
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -4.918  -1.337   1.036  0.00  0.00    -0.035 S 
ATOM      2  C   LIG    1       -3.444  -1.091   0.252  0.00  0.00    +0.080 C 
ATOM      3  C   LIG    1       -2.895   0.259  -0.090  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1       -1.500   0.510  -0.168  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1       -1.061   1.817  -0.387  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -1.928   2.899  -0.568  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -3.295   2.640  -0.529  0.00  0.00    +0.003 A 
ATOM      8  N   LIG    1        0.313   1.798  -0.375  0.00  0.00    -0.354 N 
ATOM      9  H   LIG    1        0.897   2.616  -0.476  0.00  0.00    +0.166 HD
ATOM     10  C   LIG    1        0.787   0.523  -0.194  0.00  0.00    +0.051 A 
ATOM     11  C   LIG    1       -0.321  -0.306  -0.090  0.00  0.00    -0.012 A 
ATOM     12  C   LIG    1       -0.321  -1.795   0.021  0.00  0.00    +0.056 C 
ATOM     13  C   LIG    1       -1.493  -2.408  -0.741  0.00  0.00    +0.107 C 
ATOM     14  C   LIG    1       -3.770   1.351  -0.292  0.00  0.00    +0.011 A 
ATOM     15  N   LIG    1       -2.754  -2.245  -0.039  0.00  0.00    -0.337 N 
ATOM     16  H   LIG    1       -3.236  -3.092   0.243  0.00  0.00    +0.147 HD
ENDROOT
BRANCH  10  17
ATOM     17  C   LIG    1        2.218   0.234  -0.147  0.00  0.00    -0.001 A 
ATOM     18  C   LIG    1        3.067   0.657  -1.178  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        4.435   0.382  -1.125  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        4.966  -0.315  -0.042  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        4.130  -0.740   0.989  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        2.761  -0.468   0.936  0.00  0.00    +0.010 A 
ENDBRANCH  10  17
TORSDOF 1