REMARK  Name = BDB002031
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.482   0.699   0.566  0.00  0.00    -0.288 N 
ATOM      2  C   LIG    1        1.195  -0.502   0.705  0.00  0.00    +0.264 A 
ATOM      3  O   LIG    1        0.704  -1.558   1.100  0.00  0.00    -0.267 OA
ATOM      4  C   LIG    1        2.617  -0.487   0.344  0.00  0.00    +0.082 A 
ATOM      5  C   LIG    1        3.168   0.682  -0.135  0.00  0.00    +0.145 A 
ATOM      6  N   LIG    1        4.462   0.804  -0.500  0.00  0.00    -0.237 NA
ATOM      7  C   LIG    1        5.235  -0.299  -0.376  0.00  0.00    +0.113 A 
ATOM      8  C   LIG    1        4.771  -1.518   0.095  0.00  0.00    +0.021 A 
ATOM      9  N   LIG    1        2.377   1.808  -0.266  0.00  0.00    -0.320 N 
ATOM     10  H   LIG    1        2.832   2.635  -0.631  0.00  0.00    +0.169 HD
ATOM     11  C   LIG    1        3.432  -1.613   0.463  0.00  0.00    +0.018 A 
ATOM     12  C   LIG    1        1.054   1.866   0.058  0.00  0.00    +0.162 A 
ATOM     13  S   LIG    1        0.288   3.338  -0.196  0.00  0.00    -0.013 S 
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1       -0.941   0.628   0.936  0.00  0.00    +0.127 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -1.806   0.152  -0.239  0.00  0.00    +0.025 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -4.102  -0.141  -1.214  0.00  0.00    +0.007 C 
ATOM     17  C   LIG    1       -3.317   0.211   0.052  0.00  0.00    -0.016 C 
ATOM     18  C   LIG    1       -3.728  -0.722   1.191  0.00  0.00    +0.007 C 
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 3