REMARK  Name = BDB000964
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.058   0.314  -0.137  0.00  0.00    +0.062 A 
ATOM      2  C   LIG    1        1.721  -0.085  -0.002  0.00  0.00    +0.078 A 
ATOM      3  C   LIG    1        1.253  -0.866   1.043  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1       -0.095  -1.093   0.920  0.00  0.00    -0.231 NA
ATOM      5  C   LIG    1       -0.466  -0.465  -0.183  0.00  0.00    +0.127 A 
ATOM      6  C   LIG    1        2.152  -1.300   2.027  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        3.500  -0.935   1.916  0.00  0.00    +0.003 A 
ATOM      8  N   LIG    1        0.610   0.147  -0.776  0.00  0.00    -0.340 N 
ATOM      9  H   LIG    1        0.620   0.674  -1.643  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1        3.946  -0.144   0.851  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -1.847  -0.416  -0.783  0.00  0.00    +0.134 C 
ATOM     12  N   LIG    1       -2.713  -1.487  -0.227  0.00  0.00    -0.305 NA
ATOM     13  H   LIG    1       -2.088  -2.199   0.162  0.00  0.00    +0.123 HD
ATOM     14  C   LIG    1       -3.543  -0.964   0.869  0.00  0.00    +0.096 C 
ATOM     15  C   LIG    1       -4.440   0.226   0.446  0.00  0.00    +0.096 C 
ATOM     16  N   LIG    1       -3.938   1.007  -0.706  0.00  0.00    -0.313 NA
ATOM     17  H   LIG    1       -4.194   0.472  -1.539  0.00  0.00    +0.122 HD
ATOM     18  C   LIG    1       -2.461   1.013  -0.653  0.00  0.00    +0.107 C 
ENDBRANCH   5  11
BRANCH   1  22
ATOM     19  N   LIG    1        4.691   1.719  -1.297  0.00  0.00    -0.325 N 
ATOM     20  H   LIG    1        5.286   1.759  -0.483  0.00  0.00    +0.145 HD
ATOM     21  H   LIG    1        4.890   2.369  -2.048  0.00  0.00    +0.145 HD
ATOM     22  C   LIG    1        3.446   1.159  -1.294  0.00  0.00    +0.244 C 
ATOM     23  O   LIG    1        2.658   1.376  -2.209  0.00  0.00    -0.270 OA
ENDBRANCH   1  22
TORSDOF 2