REMARK  Name = BDB025498
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.024   0.610   0.596  0.00  0.00    +0.257 C 
ATOM      2  N   LIG    1       -1.367   0.363   0.450  0.00  0.00    -0.185 N 
ATOM      3  C   LIG    1       -2.104  -0.794   0.115  0.00  0.00    +0.126 A 
ATOM      4  C   LIG    1       -3.391  -0.371  -0.126  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -4.626  -1.088  -0.542  0.00  0.00    +0.055 C 
ATOM      6  C   LIG    1       -5.752  -0.076  -0.863  0.00  0.00    +0.086 C 
ATOM      7  N   LIG    1       -5.851   1.023   0.121  0.00  0.00    -0.310 NA
ATOM      8  H   LIG    1       -5.934   0.622   1.056  0.00  0.00    +0.122 HD
ATOM      9  C   LIG    1       -4.627   1.863   0.110  0.00  0.00    +0.138 C 
ATOM     10  C   LIG    1       -3.407   0.998   0.200  0.00  0.00    +0.082 A 
ATOM     11  N   LIG    1       -2.217   1.436   0.598  0.00  0.00    -0.166 NA
ATOM     12  O   LIG    1        0.395   1.699   1.032  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  20
ATOM     13  C   LIG    1        5.935   0.596  -0.366  0.00  0.00    +0.045 C 
ATOM     14  C   LIG    1        4.737   0.202   0.456  0.00  0.00    -0.029 A 
ATOM     15  C   LIG    1        3.444   0.127  -0.108  0.00  0.00    +0.034 A 
ATOM     16  N   LIG    1        3.268   0.350  -1.487  0.00  0.00    -0.343 N 
ATOM     17  H   LIG    1        3.913   1.057  -1.832  0.00  0.00    +0.146 HD
ATOM     18  C   LIG    1        1.905   0.576  -1.936  0.00  0.00    +0.102 C 
ATOM     19  C   LIG    1        1.004  -0.528  -1.409  0.00  0.00    +0.036 C 
ATOM     20  C   LIG    1        0.968  -0.485   0.123  0.00  0.00    +0.113 C 
ATOM     21  C   LIG    1        2.373  -0.317   0.697  0.00  0.00    -0.014 A 
ATOM     22  C   LIG    1        2.586  -0.596   2.059  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1        3.853  -0.470   2.618  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        4.923  -0.080   1.820  0.00  0.00    +0.005 A 
ENDBRANCH   1  20
BRANCH   3  25
ATOM     25  N   LIG    1       -1.631  -2.067   0.045  0.00  0.00    -0.343 N 
ATOM     26  H   LIG    1       -1.059  -2.410   0.817  0.00  0.00    +0.144 HD
ATOM     27  H   LIG    1       -2.313  -2.793  -0.178  0.00  0.00    +0.144 HD
ENDBRANCH   3  25
TORSDOF 2