@<TRIPOS>MOLECULE
DB04640
26 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     1.5964     4.0905    -0.3460	S	1	noname	-0.0457
2	O1     1.5035     4.4167    -1.8994	O.2	1	noname	-0.1687
3	O2     0.9300     5.2714     0.4843	O.2	1	noname	-0.1687
4	O3     3.2187     3.9335     0.1007	O.3	1	noname	-0.1486
5	C1     0.7618     2.6114    -0.0164	C.2	1	noname	0.0321
6	C2    -0.5901     2.6332     0.3062	C.2	1	noname	0.0422
7	C3     1.4432     1.4012    -0.0741	C.2	1	noname	0.0278
8	C4    -1.2606     1.4447     0.5710	C.2	1	noname	0.0154
9	C5     0.7726     0.2128     0.1908	C.2	1	noname	-0.0160
10	C6    -0.5793     0.2346     0.5133	C.2	1	noname	0.0154
11	C7    -2.6125     1.4665     0.8936	C.2	1	noname	-0.0160
12	C8    -1.2498    -0.9539     0.7781	C.2	1	noname	0.0422
13	C9    -3.2830     0.2781     1.1584	C.2	1	noname	0.0278
14	C10    -2.6017    -0.9321     1.1007	C.2	1	noname	0.0321
15	S2    -3.4363    -2.4112     1.4303	S	1	noname	-0.0457
16	O4    -2.3871    -3.6022     1.5237	O.2	1	noname	-0.1687
17	O5    -4.2171    -2.2832     2.8094	O.2	1	noname	-0.1687
18	O6    -4.5368    -2.7262     0.1870	O.3	1	noname	-0.1486
19	H1     3.2878     3.9268     1.0581	H	1	noname	0.2388
20	H2    -1.1243     3.5822     0.3514	H	1	noname	0.0646
21	H3     2.5033     1.3841    -0.3270	H	1	noname	0.0639
22	H4     1.3069    -0.7362     0.1455	H	1	noname	0.0629
23	H5    -3.1468     2.4155     0.9388	H	1	noname	0.0629
24	H6    -0.7155    -1.9028     0.7329	H	1	noname	0.0646
25	H7    -4.3432     0.2952     1.4113	H	1	noname	0.0639
26	H8    -4.6334    -3.6750     0.0779	H	1	noname	0.2388
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	4	1
4	1	5	1
5	5	6	2
6	5	7	1
7	6	8	1
8	7	9	2
9	8	10	1
10	8	11	2
11	9	10	1
12	10	12	2
13	11	13	1
14	12	14	1
15	13	14	2
16	14	15	1
17	15	16	2
18	15	17	2
19	15	18	1
20	4	19	1
21	6	20	1
22	7	21	1
23	9	22	1
24	11	23	1
25	12	24	1
26	13	25	1
27	18	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1