@<TRIPOS>MOLECULE
DB04409
27 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.2230    -2.9181    -1.4569	S	1	noname	-0.1553
2	O1    -1.5650    -3.6823    -1.8353	O.2	1	noname	-0.3151
3	O2     0.8420    -3.9603    -0.9024	O.2	1	noname	-0.3151
4	O3     0.3978    -2.1556    -2.8315	O.3	1	noname	-0.3151
5	C1    -0.5573    -1.7332    -0.2416	C.2	1	noname	0.0121
6	C2    -0.9145    -0.4414    -0.6099	C.2	1	noname	0.0138
7	C3    -0.4685    -2.0730     1.1034	C.2	1	noname	0.0235
8	C4    -1.1831     0.5106     0.3666	C.2	1	noname	-0.0111
9	C5    -1.0033    -0.1016    -1.9548	C.2	1	noname	-0.0255
10	C6    -0.7371    -1.1209     2.0799	C.2	1	noname	0.0029
11	C7    -1.0943     0.1709     1.7115	C.2	1	noname	0.0063
12	C8    -1.5404     1.8024    -0.0018	C.2	1	noname	-0.0037
13	C9    -1.3606     1.1902    -2.3232	C.2	1	noname	-0.0139
14	S2    -0.6266    -1.5438     3.7538	S	1	noname	-0.1584
15	C10    -1.6291     2.1422    -1.3467	C.2	1	noname	-0.0082
16	O4    -1.5683    -0.5867     4.6055	O.2	1	noname	-0.3157
17	O5     0.8772    -1.3805     4.2436	O.2	1	noname	-0.3157
18	O6    -1.1163    -3.1477     3.9631	O.3	1	noname	-0.3157
19	S3    -2.0738     3.7500    -1.8052	S	1	noname	-0.1597
20	O7    -3.1475     4.3162    -0.7783	O.2	1	noname	-0.3158
21	O8    -0.7848     4.6808    -1.7912	O.2	1	noname	-0.3158
22	O9    -2.7369     3.7295    -3.3595	O.3	1	noname	-0.3158
23	H1    -0.1884    -3.0860     1.3922	H	1	noname	0.0639
24	H2    -0.7927    -0.8482    -2.7206	H	1	noname	0.0629
25	H3    -1.3049     0.9174     2.4773	H	1	noname	0.0637
26	H4    -1.7509     2.5490     0.7640	H	1	noname	0.0637
27	H5    -1.4301     1.4566    -3.3779	H	1	noname	0.0631
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	4	1
4	1	5	1
5	5	6	1
6	5	7	2
7	6	8	1
8	6	9	2
9	7	10	1
10	8	11	1
11	8	12	2
12	9	13	1
13	10	14	1
14	10	11	2
15	12	15	1
16	13	15	2
17	14	16	2
18	14	17	2
19	14	18	1
20	15	19	1
21	19	20	2
22	19	21	2
23	19	22	1
24	7	23	1
25	9	24	1
26	11	25	1
27	12	26	1
28	13	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1