@<TRIPOS>MOLECULE
71587296
17 16 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     1.3082     3.4857     0.9831	S	1	noname	0.0275
2	S2     0.2279     0.5800    -2.5688	S.3	1	noname	-0.1765
3	O1    -1.6770     1.1442    -0.2817	O.3	1	noname	-0.3907
4	O2     1.6326     4.6221    -0.2249	O.3	1	noname	-0.1451
5	O3     1.4548     4.1722     2.4098	O.2	1	noname	-0.1602
6	O4     2.3381     2.2799     0.8669	O.2	1	noname	-0.1602
7	C1    -0.3537     1.6354    -0.1265	C.3	1	noname	0.0814
8	C2    -0.3692     2.8631     0.7864	C.3	1	noname	0.1089
9	C3     0.2097     2.0244    -1.4948	C.3	1	noname	0.0177
10	H1     0.2717     0.8607     0.3170	H	1	noname	0.0622
11	H2    -0.9946     3.6378     0.3428	H	1	noname	0.0515
12	H3    -0.7706     2.5860     1.7612	H	1	noname	0.0515
13	H4    -0.4158     2.7991    -1.9384	H	1	noname	0.0404
14	H5     1.2254     2.4014    -1.3757	H	1	noname	0.0404
15	H6    -2.0378     0.8951     0.5947	H	1	noname	0.2105
16	H7     0.7287     0.9258    -3.7851	H	1	noname	0.1022
17	H8     2.6012     4.7494    -0.3021	H	1	noname	0.2384
@<TRIPOS>BOND
1	1	4	1
2	1	5	2
3	1	6	2
4	1	8	1
5	2	9	1
6	2	16	1
7	3	7	1
8	3	15	1
9	4	17	1
10	7	8	1
11	7	9	1
12	7	10	1
13	8	11	1
14	8	12	1
15	9	13	1
16	9	14	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1