REMARK  Name = BDB025322
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.081   0.401   0.089  0.00  0.00    -0.313 N 
ATOM      2  C   LIG    1       -0.549  -0.703  -0.582  0.00  0.00    +0.146 A 
ATOM      3  C   LIG    1       -1.933  -0.619  -0.639  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1       -2.613  -1.653  -1.305  0.00  0.00    +0.017 A 
ATOM      5  C   LIG    1       -1.851  -2.686  -1.856  0.00  0.00    +0.068 A 
ATOM      6  C   LIG    1       -0.471  -2.645  -1.715  0.00  0.00    +0.214 A 
ATOM      7  C   LIG    1       -2.311   0.572   0.050  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -3.554   1.178   0.331  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1       -3.595   2.373   1.056  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -2.420   2.968   1.501  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -1.174   2.391   1.236  0.00  0.00    +0.026 A 
ATOM     12  N   LIG    1        0.226  -1.685  -1.085  0.00  0.00    -0.195 NA
ATOM     13  C   LIG    1       -1.138   1.190   0.506  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   1  20
ATOM     14  O   LIG    1        5.311  -0.487   0.123  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1        4.109  -0.246   0.199  0.00  0.00    +0.219 C 
ATOM     16  N   LIG    1        3.365   0.022  -0.920  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1        3.883   0.039  -1.788  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1        2.144   0.653  -0.956  0.00  0.00    +0.242 C 
ATOM     19  O   LIG    1        1.801   1.270  -1.964  0.00  0.00    -0.273 OA
ATOM     20  C   LIG    1        1.337   0.653   0.339  0.00  0.00    +0.176 C 
ATOM     21  C   LIG    1        1.906  -0.326   1.372  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1        3.401  -0.108   1.525  0.00  0.00    +0.099 C 
ENDBRANCH   1  20
BRANCH   6  23
ATOM     23  O   LIG    1        0.303  -3.644  -2.235  0.00  0.00    -0.492 OA
ATOM     24  H   LIG    1       -0.275  -4.254  -2.714  0.00  0.00    +0.294 HD
ENDBRANCH   6  23
TORSDOF 2