@<TRIPOS>MOLECULE
101324171
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -1.6505    -1.4404    -0.8126	S	1	noname	-0.0429
2	O1    -3.1766    -0.8809    -1.2755	O.3	1	noname	-0.1482
3	O2    -1.7439    -2.9815    -0.4324	O.2	1	noname	-0.1681
4	O3    -0.6295    -1.2526    -2.0169	O.2	1	noname	-0.1681
5	C1    -0.3590     0.6221     0.3737	C.2	1	noname	0.0150
6	C2     0.0852     1.3449     1.4748	C.2	1	noname	-0.0268
7	C3    -1.0977    -0.5408     0.5578	C.2	1	noname	0.0358
8	C4     0.6744     2.2252    -1.0955	C.2	1	noname	-0.0563
9	C5     1.1186     2.9480     0.0056	C.2	1	noname	-0.0588
10	C6    -0.0644     1.0623    -0.9114	C.2	1	noname	-0.0350
11	C7     0.8240     2.5079     1.2907	C.2	1	noname	-0.0511
12	C8    -0.2094     0.9048     2.7599	C.2	1	noname	-0.0121
13	C9    -1.3923    -0.9810     1.8429	C.2	1	noname	0.0262
14	C10    -0.9482    -0.2582     2.9440	C.2	1	noname	-0.0283
15	C11     0.9838     2.6876    -2.4453	C.3	1	noname	-0.0016
16	C12     1.8945     4.1696    -0.1877	C.3	1	noname	-0.0018
17	H1    -0.3903     0.5319    -1.7194	H	1	noname	0.0632
18	H2     1.1499     3.0383     2.0987	H	1	noname	0.0632
19	H3     0.1165     1.4352     3.5679	H	1	noname	0.0629
20	H4    -1.9344    -1.8344     1.9780	H	1	noname	0.0640
21	H5    -1.1643    -0.5812     3.8870	H	1	noname	0.0623
22	H6     0.0565     2.8763    -2.9863	H	1	noname	0.0280
23	H7     1.5658     3.6075    -2.3898	H	1	noname	0.0280
24	H8     1.5602     1.9240    -2.9677	H	1	noname	0.0280
25	H9     1.3677     5.0100     0.2642	H	1	noname	0.0280
26	H10     2.0238     4.3529    -1.2544	H	1	noname	0.0280
27	H11     2.8714     4.0577     0.2827	H	1	noname	0.0280
28	H12    -3.8580    -1.2640    -0.6845	H	1	noname	0.2388
@<TRIPOS>BOND
1	1	2	1
2	1	3	2
3	1	4	2
4	1	7	1
5	2	28	1
6	5	6	2
7	5	7	1
8	5	10	1
9	6	11	1
10	6	12	1
11	7	13	2
12	8	9	1
13	8	10	2
14	8	15	1
15	9	11	2
16	9	16	1
17	10	17	1
18	11	18	1
19	12	14	2
20	12	19	1
21	13	14	1
22	13	20	1
23	14	21	1
24	15	22	1
25	15	23	1
26	15	24	1
27	16	25	1
28	16	26	1
29	16	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1