REMARK  Name = BDB038871
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  CA  LIG    1       -3.404  -2.659   0.353  0.00  0.00    +0.149 A 
ATOM      2  N   LIG    1       -2.153  -2.143   0.244  0.00  0.00    -0.238 NA
ATOM      3  C   LIG    1       -1.981  -0.806   0.080  0.00  0.00    +0.096 A 
ATOM      4  C   LIG    1       -3.121  -0.002  -0.015  0.00  0.00    +0.074 A 
ATOM      5  N   LIG    1       -3.254   1.350  -0.245  0.00  0.00    -0.352 N 
ATOM      6  H   LIG    1       -2.482   1.982  -0.403  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -4.576   1.726  -0.247  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1       -5.328   0.572  -0.037  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -6.734   0.682  -0.003  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -7.330   1.936  -0.178  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -6.550   3.070  -0.386  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -5.155   2.988  -0.427  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1       -4.411  -0.519   0.095  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -4.566  -1.898   0.296  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   3  15
ATOM     15  C   LIG    1       -0.608  -0.306  -0.010  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -0.167   0.789   0.751  0.00  0.00    +0.011 A 
ATOM     17  C   LIG    1        1.148   1.257   0.648  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1        2.058   0.629  -0.205  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1        1.635  -0.462  -0.965  0.00  0.00    +0.015 A 
ATOM     20  C   LIG    1        0.320  -0.929  -0.860  0.00  0.00    +0.011 A 
BRANCH  18  21
ATOM     21  S   LIG    1        3.721   1.257  -0.316  0.00  0.00    -0.121 S 
BRANCH  21  22
ATOM     22  C   LIG    1        4.644  -0.222   0.221  0.00  0.00    +0.109 C 
BRANCH  22  23
ATOM     23  C   LIG    1        6.116   0.073   0.371  0.00  0.00    -0.037 A 
ATOM     24  C   LIG    1        6.635   0.504   1.601  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        7.995   0.785   1.736  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        8.850   0.643   0.645  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        8.345   0.225  -0.585  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.984  -0.057  -0.723  0.00  0.00    +0.004 A 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   3  15
BRANCH   1  30
ATOM     29  O   LIG    1       -2.527  -4.920   0.578  0.00  0.00    -0.243 OA
ATOM     30  C   LIG    1       -3.465  -4.144   0.540  0.00  0.00    +0.355 C 
BRANCH  30  31
ATOM     31  OXT LIG    1       -4.727  -4.607   0.675  0.00  0.00    -0.476 OA
ATOM     32  HXT LIG    1       -4.595  -5.572   0.789  0.00  0.00    +0.295 HD
ENDBRANCH  30  31
ENDBRANCH   1  30
TORSDOF 6