@<TRIPOS>MOLECULE
57370503
21 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -1.3394    -0.1043     0.7192	S	1	noname	0.0330
2	O1    -0.8702    -1.5938     0.0731	O.3	1	noname	-0.0773
3	O2     0.4837    -2.6183     2.2236	O.3	1	noname	-0.2640
4	O3    -1.6724    -0.2845     2.3662	O.3	1	noname	-0.1146
5	O4    -2.6423     0.4122    -0.0316	O.2	1	noname	-0.1257
6	O5    -0.1646     0.9500     0.5282	O.2	1	noname	-0.1257
7	C1     0.4775    -1.6693     0.0487	C.2	1	noname	0.0395
8	C2     1.1643    -2.1890     1.1397	C.2	1	noname	0.0518
9	C3     1.1783    -1.2272    -1.0674	C.2	1	noname	0.0035
10	C4     2.5519    -2.2667     1.1146	C.2	1	noname	-0.0162
11	C5     2.5659    -1.3050    -1.0925	C.2	1	noname	-0.0577
12	C6     3.2527    -1.8247    -0.0015	C.2	1	noname	-0.0450
13	C7     0.1668    -3.9939     2.0694	C.3	1	noname	0.0424
14	H1     0.6743    -0.8458    -1.8680	H	1	noname	0.0651
15	H2     3.0559    -2.6481     1.9152	H	1	noname	0.0651
16	H3     3.0801    -0.9806    -1.9114	H	1	noname	0.0623
17	H4     4.2709    -1.8817    -0.0199	H	1	noname	0.0623
18	H5    -0.3828    -4.3405     2.9445	H	1	noname	0.0535
19	H6    -0.4469    -4.1277     1.1785	H	1	noname	0.0535
20	H7     1.0867    -4.5694     1.9666	H	1	noname	0.0535
21	H8    -2.4894    -0.8139     2.4783	H	1	noname	0.2408
@<TRIPOS>BOND
1	1	2	1
2	1	4	1
3	1	5	2
4	1	6	2
5	2	7	1
6	3	8	1
7	3	13	1
8	4	21	1
9	7	8	1
10	7	9	2
11	8	10	2
12	9	11	1
13	9	14	1
14	10	12	1
15	10	15	1
16	11	12	2
17	11	16	1
18	12	17	1
19	13	18	1
20	13	19	1
21	13	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1