REMARK  Name = BDB027973
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.279   0.592   0.227  0.00  0.00    +0.436 C 
ATOM      2  N   LIG    1        1.282   1.554  -0.045  0.00  0.00    -0.170 N 
ATOM      3  N   LIG    1       -0.045   1.243  -0.024  0.00  0.00    -0.145 NA
ATOM      4  C   LIG    1       -0.677   2.371  -0.346  0.00  0.00    +0.159 A 
ATOM      5  C   LIG    1        0.236   3.429  -0.555  0.00  0.00    +0.111 A 
ATOM      6  C   LIG    1        1.482   2.884  -0.354  0.00  0.00    +0.141 A 
ATOM      7  O   LIG    1        3.461   0.902   0.211  0.00  0.00    -0.221 OA
ENDROOT
BRANCH   4   8
ATOM      8  N   LIG    1       -2.024   2.493  -0.462  0.00  0.00    -0.315 N 
ATOM      9  H   LIG    1       -2.374   3.262  -1.031  0.00  0.00    +0.148 HD
BRANCH   8  10
ATOM     10  C   LIG    1       -2.889   1.304  -0.563  0.00  0.00    +0.159 C 
ATOM     11  C   LIG    1       -2.439   0.349  -1.683  0.00  0.00    +0.240 C 
ATOM     12  O   LIG    1       -2.058   0.740  -2.787  0.00  0.00    -0.273 OA
ATOM     13  N   LIG    1       -2.563  -0.996  -1.428  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -2.252  -1.614  -2.164  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -3.260  -1.587  -0.406  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -3.455  -2.800  -0.391  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -3.862  -0.663   0.624  0.00  0.00    +0.098 C 
ATOM     18  C   LIG    1       -3.029   0.597   0.785  0.00  0.00    +0.041 C 
ENDBRANCH   8  10
ENDBRANCH   4   8
BRANCH   5  19
ATOM     19  C   LIG    1       -0.036   4.782  -0.902  0.00  0.00    +0.104 C 
ATOM     20  N   LIG    1       -0.266   5.883  -1.188  0.00  0.00    -0.191 NA
ENDBRANCH   5  19
BRANCH   1  21
ATOM     21  O   LIG    1        1.719  -0.617   0.480  0.00  0.00    -0.442 OA
BRANCH  21  23
ATOM     22  C   LIG    1        3.348  -1.550   2.069  0.00  0.00    +0.055 C 
ATOM     23  C   LIG    1        2.549  -1.765   0.779  0.00  0.00    +0.107 C 
ATOM     24  C   LIG    1        1.558  -2.918   0.997  0.00  0.00    +0.055 C 
ATOM     25  C   LIG    1        3.458  -2.114  -0.404  0.00  0.00    +0.055 C 
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 5