REMARK  Name = BDB025421
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.306  -0.077  -0.228  0.00  0.00    -0.298 NA
ATOM      2  C   LIG    1        3.227   0.931  -0.184  0.00  0.00    +0.125 C 
ATOM      3  C   LIG    1        1.965   0.293   0.291  0.00  0.00    +0.029 A 
ATOM      4  C   LIG    1        1.943  -0.913   1.009  0.00  0.00    +0.071 A 
ATOM      5  N   LIG    1        0.723  -1.269   1.397  0.00  0.00    -0.167 NA
ATOM      6  N   LIG    1       -0.110  -0.339   0.822  0.00  0.00    -0.185 N 
ATOM      7  C   LIG    1       -1.504  -0.609   0.848  0.00  0.00    +0.257 C 
ATOM      8  O   LIG    1       -1.928  -1.503   1.577  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        3.167  -1.699   1.306  0.00  0.00    +0.073 C 
ATOM     10  C   LIG    1        0.650   0.708   0.256  0.00  0.00    +0.127 A 
ATOM     11  C   LIG    1        4.420  -0.834   1.039  0.00  0.00    +0.091 C 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -2.371   0.197  -0.111  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1       -3.851   0.112   0.251  0.00  0.00    -0.014 A 
ATOM     14  C   LIG    1       -4.738  -0.663  -0.516  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -6.097  -0.668  -0.177  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1       -6.564   0.024   0.942  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -5.677   0.753   1.726  0.00  0.00    +0.000 A 
ATOM     18  N   LIG    1       -4.332  -1.309  -1.695  0.00  0.00    -0.344 N 
ATOM     19  H   LIG    1       -4.897  -2.135  -1.878  0.00  0.00    +0.146 HD
ATOM     20  C   LIG    1       -2.905  -1.553  -1.824  0.00  0.00    +0.102 C 
ATOM     21  C   LIG    1       -4.328   0.803   1.381  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -2.138  -0.266  -1.556  0.00  0.00    +0.036 C 
ENDBRANCH   7  12
BRANCH  10  23
ATOM     23  N   LIG    1        0.162   1.887  -0.219  0.00  0.00    -0.343 N 
ATOM     24  H   LIG    1        0.842   2.570  -0.553  0.00  0.00    +0.144 HD
ATOM     25  H   LIG    1       -0.533   2.383   0.340  0.00  0.00    +0.144 HD
ENDBRANCH  10  23
BRANCH   1  27
ATOM     26  C   LIG    1        6.261   1.484   0.254  0.00  0.00    +0.020 C 
ATOM     27  C   LIG    1        5.583   0.485  -0.680  0.00  0.00    +0.081 C 
ENDBRANCH   1  27
TORSDOF 3