@<TRIPOS>MOLECULE
119025823
21 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.3370     0.0199    -0.0115	O.3	1	noname	0.0000
2	O2    -2.6177    -0.6936     3.7804	O.3	1	noname	0.0000
3	O3    -1.3442    -2.3552     2.9498	O.2	1	noname	0.0000
4	N1     0.1226     1.1460    -3.4864	N.1	1	noname	0.0000
5	C1    -0.0735    -0.0423    -0.1626	C.3	1	noname	0.0000
6	C2     0.6883     1.2815    -0.0737	C.3	1	noname	0.0000
7	C3    -0.4174    -0.3356    -1.6243	C.3	1	noname	0.0000
8	C4     0.8417     1.8322    -1.3845	C.2	1	noname	0.0000
9	C5     0.1926     0.9346    -2.2910	C.2	1	noname	0.0000
10	C6    -0.5053    -0.8712     0.9197	C.2	1	noname	0.0000
11	C7    -1.3498    -0.3918     1.8285	C.2	1	noname	0.0000
12	C8    -1.7605    -1.1801     2.8579	C.2	1	noname	0.0000
13	C9     0.0566     1.3457    -4.6150	C.1	1	noname	0.0000
14	H1     1.1119     1.7667     0.8057	H	1	noname	0.0000
15	H2    -1.4999    -0.3284    -1.7514	H	1	noname	0.0000
16	H3     0.0254    -1.2334    -2.0557	H	1	noname	0.0000
17	H4     1.3076     2.6734    -1.6199	H	1	noname	0.0000
18	H5    -0.1756    -1.8018     0.9925	H	1	noname	0.0000
19	H6    -1.6795     0.5388     1.7557	H	1	noname	0.0000
20	H7    -2.5879    -1.0275     4.7012	H	1	noname	0.0000
21	H8     0.0035     1.5060    -5.5214	H	1	noname	0.0000
@<TRIPOS>BOND
1	1	5	1
2	1	6	1
3	2	12	1
4	2	20	1
5	3	12	2
6	4	9	1
7	4	13	3
8	5	6	1
9	5	7	1
10	5	10	1
11	6	8	1
12	6	14	1
13	7	9	1
14	7	15	1
15	7	16	1
16	8	9	2
17	8	17	1
18	10	11	2
19	10	18	1
20	11	12	1
21	11	19	1
22	13	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1