REMARK  Name = BDB025342
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.407   0.920   0.641  0.00  0.00    +0.281 C 
ATOM      2  N   LIG    1       -0.950   0.671   0.322  0.00  0.00    -0.182 N 
ATOM      3  C   LIG    1       -1.944   1.598  -0.027  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -3.080   0.870  -0.292  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1       -4.439   1.277  -0.727  0.00  0.00    +0.121 C 
ATOM      6  N   LIG    1       -5.400   0.179  -0.493  0.00  0.00    -0.311 NA
ATOM      7  H   LIG    1       -6.276   0.415  -0.957  0.00  0.00    +0.122 HD
ATOM      8  C   LIG    1       -4.905  -1.114  -1.005  0.00  0.00    +0.087 C 
ATOM      9  C   LIG    1       -3.646  -1.603  -0.257  0.00  0.00    +0.073 C 
ATOM     10  C   LIG    1       -2.698  -0.472  -0.092  0.00  0.00    +0.071 A 
ATOM     11  N   LIG    1       -1.425  -0.614   0.273  0.00  0.00    -0.167 NA
ATOM     12  O   LIG    1        0.813   2.081   0.537  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1  19
ATOM     13  C   LIG    1        5.866   0.649  -1.229  0.00  0.00    +0.063 C 
ATOM     14  C   LIG    1        4.704   0.193  -0.430  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1        4.779  -0.896   0.402  0.00  0.00    -0.358 N 
ATOM     16  H   LIG    1        5.602  -1.465   0.541  0.00  0.00    +0.166 HD
ATOM     17  C   LIG    1        3.572  -1.109   1.029  0.00  0.00    +0.047 A 
ATOM     18  C   LIG    1        2.690  -0.120   0.585  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1        1.364  -0.127   1.080  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1        0.988  -1.106   2.017  0.00  0.00    +0.014 A 
ATOM     21  C   LIG    1        1.896  -2.075   2.439  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1        3.204  -2.096   1.951  0.00  0.00    +0.026 A 
ATOM     23  C   LIG    1        3.421   0.690  -0.335  0.00  0.00    +0.031 A 
ENDBRANCH   1  19
BRANCH   3  24
ATOM     24  N   LIG    1       -1.732   2.935  -0.062  0.00  0.00    -0.343 N 
ATOM     25  H   LIG    1       -2.362   3.572  -0.537  0.00  0.00    +0.144 HD
ATOM     26  H   LIG    1       -0.771   3.287   0.026  0.00  0.00    +0.144 HD
ENDBRANCH   3  24
TORSDOF 2