REMARK  Name = BDB028382
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.057   3.636  -2.094  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1        0.769   2.975  -2.072  0.00  0.00    -0.265 N 
ATOM      3  C   LIG    1        0.438   1.773  -1.484  0.00  0.00    +0.093 A 
ATOM      4  C   LIG    1       -0.921   1.615  -1.703  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1       -1.301   2.760  -2.435  0.00  0.00    +0.143 A 
ATOM      6  N   LIG    1       -0.278   3.582  -2.666  0.00  0.00    -0.179 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -1.728   0.513  -1.216  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1       -2.868   0.775  -0.440  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -3.649  -0.283   0.045  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -3.293  -1.595  -0.255  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -4.122  -2.700   0.251  0.00  0.00    +0.272 A 
ATOM     12  N   LIG    1       -5.213  -2.340   1.003  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1       -5.796  -3.090   1.364  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1       -5.586  -1.071   1.319  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1       -3.846  -3.869   0.005  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1       -2.162  -1.864  -1.034  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1       -4.861  -0.082   0.880  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1       -1.383  -0.811  -1.514  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1       -5.272   1.351   1.232  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -6.480   1.364   2.067  0.00  0.00    -0.325 NA
ATOM     21  H   LIG    1       -7.194   0.813   1.583  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1       -6.284   0.802   2.900  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   4   7
BRANCH   3  23
ATOM     23  C   LIG    1        1.412   1.012  -0.783  0.00  0.00    +0.074 A 
ATOM     24  N   LIG    1        1.459   0.952   0.620  0.00  0.00    -0.294 N 
ATOM     25  C   LIG    1        2.380   0.188   1.324  0.00  0.00    +0.108 A 
ATOM     26  C   LIG    1        2.093   0.403   2.653  0.00  0.00    +0.142 A 
ATOM     27  N   LIG    1        1.040   1.270   2.796  0.00  0.00    -0.243 NA
ATOM     28  C   LIG    1        3.323  -0.577   0.584  0.00  0.00    +0.146 A 
ATOM     29  C   LIG    1        3.292  -0.523  -0.766  0.00  0.00    +0.050 A 
ATOM     30  C   LIG    1        0.685   1.582   1.569  0.00  0.00    +0.204 A 
ATOM     31  C   LIG    1        2.308   0.281  -1.480  0.00  0.00    +0.032 A 
BRANCH  28  32
ATOM     32  O   LIG    1        4.205  -1.287   1.371  0.00  0.00    -0.487 OA
BRANCH  32  33
ATOM     33  C   LIG    1        5.022  -2.259   0.693  0.00  0.00    +0.174 C 
ATOM     34  C   LIG    1        6.391  -1.807   0.261  0.00  0.00    +0.048 C 
ATOM     35  C   LIG    1        6.241  -2.696   1.460  0.00  0.00    +0.048 C 
ENDBRANCH  32  33
ENDBRANCH  28  32
ENDBRANCH   3  23
TORSDOF 6