@<TRIPOS>MOLECULE
DB04235
22 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.2456    -1.6049     0.0000	O.2	1	noname	-0.2559
2	C1     2.0167    -1.3765     0.0000	C.2	1	noname	0.1348
3	O2     1.1394    -2.4026     0.0000	O.3	1	noname	-0.2189
4	C2     1.5300     0.0000     0.0000	C.3	1	noname	0.0349
5	C3     0.0000     0.0000     0.0000	C.3	1	noname	-0.0286
6	C4    -0.5100     1.4425     0.0000	C.3	1	noname	0.0042
7	N1    -1.9720     1.4425     0.0000	N.3	1	noname	-0.3277
8	C5    -0.0000     2.1637    -1.2492	C.3	1	noname	-0.0408
9	C6    -0.5100     3.6062    -1.2492	C.3	1	noname	-0.0639
10	H1     0.9315    -2.6458     0.9051	H	1	noname	0.2213
11	H2     1.8592     0.4343     0.9440	H	1	noname	0.0373
12	H3     1.8592     0.4343    -0.9440	H	1	noname	0.0373
13	H4    -0.3147    -0.4450    -0.9440	H	1	noname	0.0287
14	H5    -0.3147    -0.4450     0.9440	H	1	noname	0.0287
15	H6    -0.1907     1.9636     0.9025	H	1	noname	0.0462
16	H7    -2.4770     2.3172     0.0000	H	1	noname	0.1186
17	H8    -2.4770     0.5678     0.0000	H	1	noname	0.1186
18	H9     1.0854     2.2138    -1.1626	H	1	noname	0.0279
19	H10    -0.4561     1.6688    -2.1066	H	1	noname	0.0279
20	H11    -0.6311     3.9488    -0.2216	H	1	noname	0.0231
21	H12     0.2080     4.2455    -1.7631	H	1	noname	0.0231
22	H13    -1.4702     3.6521    -1.7631	H	1	noname	0.0231
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	5	6	1
6	6	7	1
7	6	8	1
8	8	9	1
9	3	10	1
10	4	11	1
11	4	12	1
12	5	13	1
13	5	14	1
14	6	15	1
15	7	16	1
16	7	17	1
17	8	18	1
18	8	19	1
19	9	20	1
20	9	21	1
21	9	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1