REMARK  Name = BDB004584
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.730  -1.578  -0.695  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1        2.496  -1.605  -0.011  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1        1.515  -0.673  -0.402  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        0.294  -0.705   0.305  0.00  0.00    +0.130 A 
ATOM      5  N   LIG    1        0.051  -1.601   1.272  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1        1.037  -2.447   1.563  0.00  0.00    +0.223 A 
ATOM      7  C   LIG    1        1.773   0.231  -1.464  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        2.992   0.237  -2.127  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1        2.241  -2.485   0.983  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        3.970  -0.663  -1.739  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        4.702  -3.416   0.620  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        3.824  -3.486   1.126  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1        5.455  -4.055   0.828  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1        4.865  -2.502  -0.378  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1        5.926  -2.451  -0.992  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  N   LIG    1       -0.728   0.208  -0.036  0.00  0.00    -0.319 N 
ATOM     17  H   LIG    1       -0.337   1.148   0.005  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  CA  LIG    1       -1.967   0.146   0.769  0.00  0.00    +0.127 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.618   1.527   0.712  0.00  0.00    -0.025 A 
ATOM     20  C   LIG    1       -2.459   2.407   1.798  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -3.014   3.688   1.769  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -3.728   4.113   0.651  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -3.883   3.260  -0.438  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -3.328   1.978  -0.411  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
BRANCH  18  25
ATOM     25  C   LIG    1       -2.885  -0.993   0.251  0.00  0.00    +0.182 C 
BRANCH  25  26
ATOM     26  O   LIG    1       -2.879  -1.072  -1.181  0.00  0.00    -0.393 OA
ATOM     27  H   LIG    1       -1.955  -0.857  -1.425  0.00  0.00    +0.209 HD
ENDBRANCH  25  26
ENDBRANCH  18  25
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 6