REMARK  Name = BDB002579
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.031   1.024   0.301  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        1.017   1.681  -0.413  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -0.164   1.017  -0.755  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1       -0.338  -0.306  -0.361  0.00  0.00    +0.132 A 
ATOM      5  C   LIG    1        0.663  -0.982   0.330  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1        1.845  -0.312   0.666  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        5.347   2.431   1.423  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1        4.319   1.337   1.272  0.00  0.00    +0.214 C 
ATOM      9  N   LIG    1        3.187   1.771   0.607  0.00  0.00    -0.286 N 
ATOM     10  H   LIG    1        3.184   2.734   0.296  0.00  0.00    +0.155 HD
ATOM     11  O   LIG    1        4.543   0.206   1.690  0.00  0.00    -0.276 OA
ENDBRANCH   1   9
BRANCH   4  12
ATOM     12  O   LIG    1       -1.478  -1.037  -0.718  0.00  0.00    -0.420 OA
BRANCH  12  13
ATOM     13  C   LIG    1       -2.710  -0.534  -0.295  0.00  0.00    +0.380 C 
ATOM     14  O   LIG    1       -2.870   0.484   0.369  0.00  0.00    -0.241 OA
BRANCH  13  15
ATOM     15  C   LIG    1       -3.758  -1.410  -0.772  0.00  0.00    +0.212 A 
ATOM     16  O   LIG    1       -5.059  -1.091  -0.476  0.00  0.00    -0.456 OA
ATOM     17  C   LIG    1       -5.849  -2.048  -1.022  0.00  0.00    +0.196 A 
ATOM     18  C   LIG    1       -5.087  -2.988  -1.672  0.00  0.00    +0.042 A 
ATOM     19  C   LIG    1       -3.741  -2.580  -1.513  0.00  0.00    +0.056 A 
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH   4  12
TORSDOF 4