@<TRIPOS>MOLECULE
73416546
21 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.6590    -0.7645    -0.7442	S	1	noname	-0.0475
2	O1     2.3375    -0.4089     4.2791	O.3	1	noname	-0.2633
3	O2     3.5857    -1.2713     1.9975	O.3	1	noname	-0.2735
4	O3    -1.3505    -2.3005    -0.8801	O.3	1	noname	-0.1486
5	O4    -1.8064     0.3362    -0.7559	O.2	1	noname	-0.1687
6	O5     0.3258    -0.5164    -1.9675	O.2	1	noname	-0.1687
7	C1     0.2256    -0.6595     0.7388	C.2	1	noname	0.0212
8	C2     1.5696    -1.0126     0.7729	C.2	1	noname	0.0582
9	C3     1.6472    -0.4908     3.1219	C.2	1	noname	0.0580
10	C4    -0.4075    -0.2220     1.8963	C.2	1	noname	0.0207
11	C5     2.2804    -0.9283     1.9644	C.2	1	noname	0.0514
12	C6     0.3032    -0.1377     3.0879	C.2	1	noname	0.0051
13	C7     2.2406    -1.6421     4.9764	C.3	1	noname	0.0424
14	H1     2.0342    -1.3337    -0.0765	H	1	noname	0.0668
15	H2    -1.3938     0.0371     1.8714	H	1	noname	0.0640
16	H3    -0.1614     0.1833     3.9373	H	1	noname	0.0651
17	H4     3.8717    -1.5545     1.1040	H	1	noname	0.2183
18	H5     2.7980    -1.5760     5.9108	H	1	noname	0.0535
19	H6     1.1939    -1.8562     5.1922	H	1	noname	0.0535
20	H7     2.6556    -2.4408     4.3616	H	1	noname	0.0535
21	H8    -0.6412    -2.9754    -0.9235	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	11	1
13	8	14	1
14	9	11	2
15	9	12	1
16	10	12	2
17	10	15	1
18	12	16	1
19	13	18	1
20	13	19	1
21	13	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1