@<TRIPOS>MOLECULE
101324163
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -1.6485     1.4872    -0.9243	S	1	noname	-0.0430
2	O1    -3.2083     0.9651    -1.3125	O.3	1	noname	-0.1482
3	O2    -1.6788     3.0400    -0.5838	O.2	1	noname	-0.1681
4	O3    -0.6819     1.2345    -2.1612	O.2	1	noname	-0.1681
5	C1    -0.3764    -0.5837     0.2686	C.2	1	noname	0.0087
6	C2     0.0878    -1.2909     1.3715	C.2	1	noname	-0.0214
7	C3    -1.0707     0.6070     0.4484	C.2	1	noname	0.0337
8	C4    -0.8365     0.3832     2.8340	C.2	1	noname	-0.0258
9	C5    -0.1422    -0.8075     2.6542	C.2	1	noname	-0.0160
10	C6    -1.3008     1.0904     1.7311	C.2	1	noname	0.0203
11	C7     0.7821    -2.4816     1.1916	C.2	1	noname	-0.0494
12	C8    -0.1464    -1.0672    -1.0142	C.2	1	noname	-0.0317
13	C9     1.0122    -2.9651    -0.0911	C.2	1	noname	-0.0538
14	C10     0.5479    -2.2578    -1.1940	C.2	1	noname	-0.0590
15	C11    -1.0782     0.8910     4.1814	C.3	1	noname	0.0011
16	C12     1.7415    -4.2157    -0.2800	C.3	1	noname	-0.0017
17	H1     0.1985    -1.3264     3.4636	H	1	noname	0.0631
18	H2    -1.8103     1.9642     1.8631	H	1	noname	0.0642
19	H3     1.1228    -3.0005     2.0010	H	1	noname	0.0631
20	H4    -0.4870    -0.5482    -1.8235	H	1	noname	0.0629
21	H5     0.7168    -2.6126    -2.1353	H	1	noname	0.0625
22	H6    -1.6572     0.1606     4.7465	H	1	noname	0.0279
23	H7    -1.6328     1.8275     4.1227	H	1	noname	0.0279
24	H8    -0.1249     1.0641     4.6809	H	1	noname	0.0279
25	H9     1.2068    -5.0264     0.2150	H	1	noname	0.0279
26	H10     1.8230    -4.4314    -1.3453	H	1	noname	0.0279
27	H11     2.7391    -4.1230     0.1493	H	1	noname	0.0279
28	H12    -3.8534     1.3827    -0.7043	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	12	1
9	6	9	1
10	6	11	1
11	7	10	2
12	8	9	2
13	8	10	1
14	8	15	1
15	9	17	1
16	10	18	1
17	11	13	2
18	11	19	1
19	12	14	2
20	12	20	1
21	13	14	1
22	13	16	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