@<TRIPOS>MOLECULE
CUA 
   10    11     1     0     0
SMALL
bcc


@<TRIPOS>ATOM
      1 N9         18.5990  -19.4960    5.3630 ne        1 CUA      -0.1909
      2 C8         19.3170  -18.8260    6.3300 c1        1 CUA       0.2828
      3 N7         19.9600  -17.7650    5.8780 nf        1 CUA      -0.2314
      4 C5         19.6060  -17.7380    4.5490 cf        1 CUA       0.3502
      5 C6         19.9440  -16.8540    3.5200 cf        1 CUA      -0.0367
      6 N6         20.7390  -15.8180    3.7340 n1        1 CUA       0.1932
      7 N1         19.4470  -17.0840    2.2870 nf        1 CUA      -0.1023
      8 C2         18.6510  -18.1390    2.0960 c1        1 CUA       0.4150
      9 N3         18.2700  -19.0580    2.9810 ne        1 CUA      -0.2641
     10 C4         18.7840  -18.7920    4.2030 ce        1 CUA       0.5843
@<TRIPOS>BOND
     1    1    2 2   
     2    1   10 1   
     3    2    3 2   
     4    3    4 1   
     5    4    5 1   
     6    4   10 2   
     7    5    6 2   
     8    5    7 1   
     9    7    8 2   
    10    8    9 2   
    11    9   10 1   
@<TRIPOS>SUBSTRUCTURE
     1 CUA         1 TEMP              0 ****  ****    0 ROOT