@<TRIPOS>MOLECULE
101315115
25 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.4035    -1.1133    -0.1386	S	1	noname	-0.0428
2	O1     2.0054    -2.3687    -1.1976	O.3	1	noname	-0.1482
3	O2     3.2843    -1.6860     1.0549	O.2	1	noname	-0.1680
4	O3     3.2290    -0.0020    -0.9206	O.2	1	noname	-0.1680
5	C1     0.3469     0.6472    -0.1624	C.2	1	noname	0.0162
6	C2     0.9547    -0.4144     0.4979	C.2	1	noname	0.0354
7	C3    -0.8172     1.2088     0.3490	C.2	1	noname	-0.0195
8	C4    -0.7659    -0.3527     2.1808	C.2	1	noname	-0.0258
9	C5     0.3982    -0.9143     1.6694	C.2	1	noname	0.0205
10	C6    -1.3736     0.7088     1.5205	C.2	1	noname	-0.0160
11	C7     0.9033     1.1471    -1.3339	C.2	1	noname	-0.0298
12	C8    -1.4249     2.2703    -0.3112	C.2	1	noname	-0.0445
13	C9    -1.3503    -0.8778     3.4113	C.3	1	noname	0.0011
14	C10     0.2956     2.2087    -1.9941	C.2	1	noname	-0.0543
15	C11    -0.8685     2.7703    -1.4828	C.2	1	noname	-0.0565
16	H1     0.8442    -1.6933     2.1539	H	1	noname	0.0642
17	H2    -2.2279     1.1209     1.8958	H	1	noname	0.0631
18	H3     1.7576     0.7350    -1.7091	H	1	noname	0.0629
19	H4    -2.2792     2.6824     0.0640	H	1	noname	0.0629
20	H5    -2.3599    -1.2362     3.2100	H	1	noname	0.0279
21	H6    -1.3880    -0.0880     4.1616	H	1	noname	0.0279
22	H7    -0.7395    -1.7014     3.7811	H	1	noname	0.0279
23	H8     0.7039     2.5756    -2.8538	H	1	noname	0.0622
24	H9    -1.3145     3.5493    -1.9672	H	1	noname	0.0622
25	H10     2.8255    -2.8038    -1.5115	H	1	noname	0.2388
@<TRIPOS>BOND
1	1	2	1
2	1	3	2
3	1	4	2
4	1	6	1
5	2	25	1
6	5	6	1
7	5	7	1
8	5	11	2
9	6	9	2
10	7	10	1
11	7	12	2
12	8	9	1
13	8	10	2
14	8	13	1
15	9	16	1
16	10	17	1
17	11	14	1
18	11	18	1
19	12	15	1
20	12	19	1
21	13	20	1
22	13	21	1
23	13	22	1
24	14	15	2
25	14	23	1
26	15	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1