REMARK  Name = BDB062878
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.421   0.866  -2.166  0.00  0.00    -0.295 N 
ATOM      2  H   LIG    1       -0.526   1.411  -3.016  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1       -0.050  -0.435  -2.365  0.00  0.00    +0.246 C 
ATOM      4  O   LIG    1        0.065  -0.902  -3.491  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.210  -1.286  -1.197  0.00  0.00    +0.045 A 
ATOM      6  C   LIG    1        1.466  -1.378  -0.618  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        2.755  -0.779  -0.925  0.00  0.00    -0.006 A 
ATOM      8  C   LIG    1        3.696  -1.198   0.033  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1        3.008  -2.100   0.977  0.00  0.00    +0.194 C 
ATOM     10  O   LIG    1        3.496  -2.655   1.939  0.00  0.00    -0.287 OA
ATOM     11  C   LIG    1        5.020  -0.803   0.031  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        5.424   0.052  -0.992  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        4.508   0.479  -1.971  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        3.168   0.063  -1.944  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        1.606  -2.191   0.523  0.00  0.00    +0.031 A 
ATOM     16  C   LIG    1        0.572  -2.918   1.087  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1       -0.677  -2.836   0.474  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -0.858  -2.031  -0.664  0.00  0.00    +0.014 A 
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  CA  LIG    1       -0.481   1.623  -0.910  0.00  0.00    +0.213 C 
BRANCH  19  22
ATOM     20  C   LIG    1       -2.683   0.587   2.041  0.00  0.00    +0.120 A 
ATOM     21  C   LIG    1       -1.573   0.943   1.268  0.00  0.00    +0.051 A 
ATOM     22  C   LIG    1       -1.705   1.255  -0.095  0.00  0.00    -0.013 A 
ATOM     23  C   LIG    1       -2.983   1.223  -0.670  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1       -4.094   0.875   0.098  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -3.946   0.556   1.450  0.00  0.00    +0.045 A 
BRANCH  20  27
ATOM     26  C   LIG    1       -3.491  -0.072   4.177  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1       -2.397   0.292   3.345  0.00  0.00    -0.495 OA
ENDBRANCH  20  27
ENDBRANCH  19  22
BRANCH  19  28
ATOM     28  C   LIG    1       -0.430   3.138  -1.186  0.00  0.00    +0.330 C 
ATOM     29  O   LIG    1       -0.461   4.036  -0.359  0.00  0.00    -0.249 OA
BRANCH  28  30
ATOM     30  OXT LIG    1       -0.324   3.447  -2.502  0.00  0.00    -0.479 OA
ATOM     31  HXT LIG    1       -0.296   4.428  -2.509  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  19  28
ENDBRANCH   1  19
TORSDOF 6