REMARK  Name = BDB027969
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.448   0.834  -0.868  0.00  0.00    -0.333 N 
ATOM      2  H   LIG    1        0.229   0.951  -1.858  0.00  0.00    +0.147 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.892   0.626  -0.679  0.00  0.00    +0.158 C 
ATOM      4  C   LIG    1        2.353  -0.806  -0.986  0.00  0.00    +0.239 C 
ATOM      5  O   LIG    1        1.935  -1.465  -1.937  0.00  0.00    -0.273 OA
ATOM      6  N   LIG    1        3.344  -1.309  -0.175  0.00  0.00    -0.255 N 
ATOM      7  H   LIG    1        3.647  -2.249  -0.391  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1        4.176  -0.597   0.649  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1        5.182  -1.112   1.129  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1        3.849   0.865   0.846  0.00  0.00    +0.098 C 
ATOM     11  C   LIG    1        2.361   1.127   0.686  0.00  0.00    +0.041 C 
ENDBRANCH   1   3
BRANCH   1  14
ATOM     12  C   LIG    1       -2.994  -0.274  -0.066  0.00  0.00    -0.032 A 
ATOM     13  C   LIG    1       -1.888   0.376  -0.643  0.00  0.00    +0.027 A 
ATOM     14  C   LIG    1       -0.565   0.088  -0.264  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -0.384  -0.844   0.760  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1       -1.472  -1.497   1.351  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -2.771  -1.214   0.941  0.00  0.00    +0.005 A 
BRANCH  12  18
ATOM     18  C   LIG    1       -4.394   0.079  -0.493  0.00  0.00    +0.113 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -4.921   1.190   0.291  0.00  0.00    -0.326 NA
ATOM     20  H   LIG    1       -4.288   1.984   0.193  0.00  0.00    +0.119 HD
ATOM     21  H   LIG    1       -4.883   0.937   1.278  0.00  0.00    +0.119 HD
ENDBRANCH  18  19
ENDBRANCH  12  18
ENDBRANCH   1  14
TORSDOF 4