REMARK  Name = BDB059080
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.223  -0.478   1.281  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1       -1.694  -1.478   0.330  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1       -0.550  -0.949  -0.565  0.00  0.00    +0.127 C 
ATOM      4  N   LIG    1        0.532  -0.308   0.202  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1        0.128   0.292   1.491  0.00  0.00    +0.127 C 
ATOM      6  C   LIG    1       -1.358   0.700   1.490  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.866  -0.341  -0.142  0.00  0.00    +0.199 A 
ATOM      8  N   LIG    1        2.196  -0.695  -1.425  0.00  0.00    -0.295 N 
ATOM      9  H   LIG    1        1.480  -0.859  -2.108  0.00  0.00    +0.172 HD
ATOM     10  C   LIG    1        3.474  -0.717  -1.900  0.00  0.00    +0.258 A 
ATOM     11  O   LIG    1        3.735  -0.956  -3.074  0.00  0.00    -0.267 OA
ATOM     12  C   LIG    1        4.514  -0.415  -0.909  0.00  0.00    +0.064 A 
ATOM     13  C   LIG    1        5.944  -0.482  -1.328  0.00  0.00    +0.202 C 
ATOM     14  O   LIG    1        6.841  -0.440  -0.205  0.00  0.00    -0.375 OA
ATOM     15  C   LIG    1        6.480   0.582   0.727  0.00  0.00    +0.166 C 
ATOM     16  C   LIG    1        5.132   0.258   1.369  0.00  0.00    +0.084 C 
ATOM     17  C   LIG    1        4.104  -0.090   0.324  0.00  0.00    +0.058 A 
ATOM     18  N   LIG    1        2.791  -0.029   0.718  0.00  0.00    -0.220 NA
ENDBRANCH   4   7
BRANCH   1  20
ATOM     19  C   LIG    1       -4.169   0.329  -0.077  0.00  0.00    +0.141 A 
ATOM     20  C   LIG    1       -3.578  -0.122   1.127  0.00  0.00    +0.072 A 
ATOM     21  C   LIG    1       -4.379  -0.199   2.280  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1       -5.732   0.136   2.249  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -6.308   0.561   1.059  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -5.532   0.658  -0.099  0.00  0.00    +0.047 A 
BRANCH  19  26
ATOM     25  C   LIG    1       -3.879   1.018  -2.348  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1       -3.344   0.425  -1.172  0.00  0.00    -0.493 OA
ENDBRANCH  19  26
ENDBRANCH   1  20
TORSDOF 3