REMARK  Name = BDB028148
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.558   0.684  -0.224  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1       -0.523   0.033   0.403  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -1.688   0.733   0.755  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -1.784   2.089   0.467  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -3.018   2.813   0.809  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -4.014   2.068   1.391  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -4.875   2.550   1.631  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -3.948   0.746   1.703  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -3.141   4.011   0.578  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -0.724   2.758  -0.151  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -2.854   0.098   1.421  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1        0.437   2.059  -0.490  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  17
ATOM     13  C   LIG    1        5.294  -2.154  -1.647  0.00  0.00    +0.088 C 
ATOM     14  C   LIG    1        4.037  -1.429  -1.281  0.00  0.00    +0.126 A 
ATOM     15  N   LIG    1        3.566  -1.583  -0.031  0.00  0.00    -0.240 NA
ATOM     16  C   LIG    1        2.447  -0.892   0.278  0.00  0.00    +0.122 A 
ATOM     17  C   LIG    1        1.773  -0.052  -0.592  0.00  0.00    +0.018 A 
ATOM     18  C   LIG    1        2.360   0.027  -1.843  0.00  0.00    +0.122 A 
ATOM     19  N   LIG    1        3.479  -0.634  -2.211  0.00  0.00    -0.240 NA
ENDBRANCH   1  17
BRANCH  11  20
ATOM     20  C   LIG    1       -2.804  -1.379   1.802  0.00  0.00    +0.136 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -3.007  -2.192   0.601  0.00  0.00    -0.325 NA
ATOM     22  H   LIG    1       -3.082  -3.172   0.876  0.00  0.00    +0.119 HD
ATOM     23  H   LIG    1       -3.921  -1.955   0.206  0.00  0.00    +0.119 HD
ENDBRANCH  20  21
ENDBRANCH  11  20
TORSDOF 3