REMARK  Name = BDB029398
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.179   0.453   0.098  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1        1.039  -0.469  -0.528  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1        2.405  -0.268  -0.437  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1        3.535  -1.078  -0.997  0.00  0.00    +0.133 C 
ATOM      5  C   LIG    1        4.761  -0.292  -0.520  0.00  0.00    +0.222 C 
ATOM      6  N   LIG    1        4.302   0.802   0.205  0.00  0.00    -0.285 N 
ATOM      7  H   LIG    1        4.922   1.477   0.626  0.00  0.00    +0.155 HD
ATOM      8  O   LIG    1        5.931  -0.567  -0.730  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1        2.918   0.824   0.258  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1        2.114   1.750   0.882  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1        0.731   1.556   0.797  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  14
ATOM     12  C   LIG    1       -1.299  -1.480   1.861  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1       -1.986  -0.616   0.841  0.00  0.00    -0.038 A 
ATOM     14  C   LIG    1       -1.275   0.280   0.024  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -2.021   1.019  -0.896  0.00  0.00    +0.121 A 
ATOM     16  N   LIG    1       -3.364   0.936  -1.057  0.00  0.00    -0.240 NA
ATOM     17  C   LIG    1       -4.016   0.072  -0.268  0.00  0.00    +0.116 A 
ATOM     18  C   LIG    1       -3.375  -0.719   0.675  0.00  0.00    +0.047 A 
BRANCH  17  19
ATOM     19  N   LIG    1       -5.391  -0.028  -0.459  0.00  0.00    -0.343 N 
ATOM     20  H   LIG    1       -5.898   0.116   0.406  0.00  0.00    +0.144 HD
ATOM     21  H   LIG    1       -5.639   0.665  -1.161  0.00  0.00    +0.144 HD
ENDBRANCH  17  19
ENDBRANCH   1  14
TORSDOF 2