@<TRIPOS>MOLECULE
76957523
21 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.7098    -0.6031    -0.7299	S	1	noname	-0.0476
2	O1     3.5906    -1.8180     1.6827	O.3	1	noname	-0.2651
3	O2     2.5470    -1.1100     4.1153	O.3	1	noname	-0.2717
4	O3    -1.5573    -2.0415    -0.9921	O.3	1	noname	-0.1486
5	O4    -1.7405     0.5946    -0.5528	O.2	1	noname	-0.1687
6	O5     0.2346    -0.3098    -1.9750	O.2	1	noname	-0.1687
7	C1     0.2517    -0.7527     0.7005	C.2	1	noname	0.0208
8	C2     1.5536    -1.2321     0.6158	C.2	1	noname	0.0593
9	C3     2.3262    -1.3524     1.7650	C.2	1	noname	0.0512
10	C4    -0.2777    -0.3936     1.9345	C.2	1	noname	0.0211
11	C5     1.7967    -0.9932     2.9991	C.2	1	noname	0.0583
12	C6     0.4948    -0.5138     3.0838	C.2	1	noname	0.0040
13	C7     4.4830    -0.7317     1.4828	C.3	1	noname	0.0424
14	H1     1.9421    -1.4957    -0.2898	H	1	noname	0.0668
15	H2    -1.2331    -0.0418     1.9967	H	1	noname	0.0640
16	H3     0.1063    -0.2503     3.9893	H	1	noname	0.0651
17	H4     2.0257    -0.8165     4.8915	H	1	noname	0.2183
18	H5     5.5040    -1.1076     1.4164	H	1	noname	0.0535
19	H6     4.2251    -0.2151     0.5583	H	1	noname	0.0535
20	H7     4.4049    -0.0384     2.3203	H	1	noname	0.0535
21	H8    -0.9217    -2.7754    -1.1258	H	1	noname	0.2388
@<TRIPOS>BOND
1	1	4	1
2	1	5	2
3	1	6	2
4	1	7	1
5	2	9	1
6	2	13	1
7	3	11	1
8	3	17	1
9	4	21	1
10	7	8	2
11	7	10	1
12	8	9	1
13	8	14	1
14	9	11	2
15	10	12	2
16	10	15	1
17	11	12	1
18	12	16	1
19	13	18	1
20	13	19	1
21	13	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1