@<TRIPOS>MOLECULE
DB03644
18 18 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.9450    -1.2038     0.0000	O.2	1	noname	-0.2584
2	C1    -0.6950    -1.2038     0.0000	C.2	1	noname	0.0860
3	O2    -0.0200    -2.3729     0.0000	O.3	1	noname	-0.2182
4	C2     0.0000     0.0000     0.0000	C.2	1	noname	-0.0110
5	C3     1.3900     0.0000     0.0000	C.2	1	noname	0.0398
6	C4    -0.6950     1.2038     0.0000	C.2	1	noname	-0.0220
7	N1     2.0600    -1.1605     0.0000	N.3	1	noname	-0.1324
8	C5     2.0850     1.2038     0.0000	C.2	1	noname	-0.0011
9	C6    -0.0000     2.4076     0.0000	C.2	1	noname	-0.0673
10	O3     3.4350     1.2038     0.0000	O.3	1	noname	-0.2827
11	C7     1.3900     2.4076     0.0000	C.2	1	noname	-0.0119
12	H1     0.1400    -2.6500     0.9051	H	1	noname	0.2216
13	H2    -1.7850     1.2038     0.0000	H	1	noname	0.0631
14	H3     1.5550    -2.0352     0.0000	H	1	noname	0.1243
15	H4     3.0700    -1.1605     0.0000	H	1	noname	0.1243
16	H5    -0.5450     3.3515     0.0000	H	1	noname	0.0623
17	H6     3.7550     1.2038     0.9051	H	1	noname	0.2182
18	H7     1.9350     3.3515     0.0000	H	1	noname	0.0650
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	2
5	4	6	1
6	5	7	1
7	5	8	1
8	6	9	2
9	8	10	1
10	8	11	2
11	9	11	1
12	3	12	1
13	6	13	1
14	7	14	1
15	7	15	1
16	9	16	1
17	10	17	1
18	11	18	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1