@<TRIPOS>MOLECULE
DB01866
22 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -2.2324    -0.7556    -0.3248	S	1	noname	0.0338
2	O1    -3.1549    -0.4852     0.9417	O.2	1	noname	-0.1562
3	O2    -2.0775     0.5862    -1.1638	O.2	1	noname	-0.1562
4	O3    -2.9394    -1.9468    -1.2928	O.3	1	noname	-0.1419
5	C1    -0.6102    -1.3117     0.2223	C.3	1	noname	0.2029
6	C2     0.2140    -0.1539     0.5566	C.2	1	noname	-0.0408
7	C3     0.0298    -2.0722    -0.8472	C.2	1	noname	0.1491
8	C4     1.0044     0.4417    -0.4194	C.2	1	noname	-0.0481
9	C5     0.2083     0.3528     1.8509	C.2	1	noname	-0.0481
10	O4     0.3548    -3.2643    -0.6583	O.2	1	noname	-0.2460
11	O5     0.2705    -1.4878    -2.0401	O.3	1	noname	-0.2112
12	C6     1.7891     1.5439    -0.1012	C.2	1	noname	-0.0582
13	C7     0.9930     1.4551     2.1692	C.2	1	noname	-0.0582
14	C8     1.7834     2.0507     1.1932	C.2	1	noname	-0.0611
15	H1    -3.3379    -2.6182    -0.7342	H	1	noname	0.2384
16	H2    -0.5030    -1.9590     1.0927	H	1	noname	0.0686
17	H3     1.0089     0.0443    -1.4344	H	1	noname	0.0626
18	H4    -0.4115    -0.1142     2.6163	H	1	noname	0.0626
19	H5     0.4051    -2.1652    -2.7069	H	1	noname	0.2213
20	H6     2.4089     2.0110    -0.8665	H	1	noname	0.0622
21	H7     0.9885     1.8525     3.1842	H	1	noname	0.0622
22	H8     2.3987     2.9151     1.4428	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	4	1
4	5	1	1
5	5	6	1
6	5	7	1
7	6	8	2
8	6	9	1
9	7	10	2
10	7	11	1
11	8	12	1
12	9	13	2
13	12	14	2
14	13	14	1
15	4	15	1
16	5	16	1
17	8	17	1
18	9	18	1
19	11	19	1
20	12	20	1
21	13	21	1
22	14	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1