REMARK  Name = BDB031294
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.901   1.286   0.770  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1       -0.902   0.178   0.251  0.00  0.00    +0.308 C 
ATOM      3  N   LIG    1        0.234  -0.514  -0.146  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        0.077  -1.267  -0.798  0.00  0.00    +0.156 HD
ATOM      5  N   LIG    1       -2.036  -0.572  -0.029  0.00  0.00    -0.269 N 
ATOM      6  H   LIG    1       -1.883  -1.553  -0.204  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.582  -0.152   0.070  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1        2.557  -0.906  -0.606  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1        3.874  -0.569  -0.394  0.00  0.00    +0.069 A 
ATOM     10  C   LIG    1        4.250   0.468   0.453  0.00  0.00    +0.067 A 
ATOM     11  N   LIG    1        5.637   0.547   0.447  0.00  0.00    -0.306 N 
ATOM     12  H   LIG    1        6.214   1.195   0.957  0.00  0.00    +0.170 HD
ATOM     13  C   LIG    1        6.141  -0.443  -0.408  0.00  0.00    +0.325 A 
ATOM     14  O   LIG    1        7.312  -0.665  -0.657  0.00  0.00    -0.247 OA
ATOM     15  C   LIG    1        3.328   1.220   1.135  0.00  0.00    +0.029 A 
ATOM     16  N   LIG    1        5.032  -1.130  -0.924  0.00  0.00    -0.306 N 
ATOM     17  H   LIG    1        5.104  -1.897  -1.572  0.00  0.00    +0.170 HD
ATOM     18  C   LIG    1        1.977   0.896   0.936  0.00  0.00    +0.025 A 
ENDBRANCH   3   7
BRANCH   5  19
ATOM     19  C   LIG    1       -3.383  -0.178   0.112  0.00  0.00    +0.035 A 
ATOM     20  C   LIG    1       -3.789   1.130   0.386  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1       -5.147   1.442   0.499  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -6.112   0.450   0.335  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -5.719  -0.855   0.054  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -4.361  -1.167  -0.059  0.00  0.00    +0.023 A 
ENDBRANCH   5  19
TORSDOF 2