@<TRIPOS>MOLECULE
DB07440
28 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.7170    -1.4471    -0.0476	S	1	noname	-0.0480
2	O1    -0.2142    -2.7540     0.7056	O.2	1	noname	-0.1689
3	O2    -1.5024    -1.8642    -1.3657	O.2	1	noname	-0.1689
4	O3    -1.7459    -0.5721     0.9682	O.3	1	noname	-0.1487
5	C1     0.6438    -0.4672    -0.4729	C.2	1	noname	0.0176
6	C2     1.1058     0.5016     0.4104	C.2	1	noname	0.0215
7	C3     1.2751    -0.6485    -1.6979	C.2	1	noname	0.0215
8	C4     2.1991     1.2889     0.0687	C.2	1	noname	-0.0346
9	C5     2.3684     0.1389    -2.0396	C.2	1	noname	-0.0346
10	C6     2.8304     1.1076    -1.1563	C.2	1	noname	-0.0165
11	C7     3.9788     1.9347    -1.5152	C.3	1	noname	0.0207
12	C8     5.2649     1.2549    -1.0411	C.3	1	noname	-0.0561
13	C9     4.0253     2.1112    -3.0343	C.3	1	noname	-0.0561
14	C10     3.8496     3.3046    -0.8463	C.3	1	noname	-0.0561
15	H1    -1.5263    -0.7589     1.8839	H	1	noname	0.2388
16	H2     0.6107     0.6437     1.3710	H	1	noname	0.0639
17	H3     0.9128    -1.4081    -2.3906	H	1	noname	0.0639
18	H4     2.5614     2.0486     0.7614	H	1	noname	0.0626
19	H5     2.8635    -0.0033    -3.0002	H	1	noname	0.0626
20	H6     5.2888     1.2423     0.0485	H	1	noname	0.0239
21	H7     5.2952     0.2323    -1.4171	H	1	noname	0.0239
22	H8     6.1270     1.8059    -1.4171	H	1	noname	0.0239
23	H9     4.0400     1.1323    -3.5135	H	1	noname	0.0239
24	H10     3.1450     2.6635    -3.3630	H	1	noname	0.0239
25	H11     4.9241     2.6635    -3.3085	H	1	noname	0.0239
26	H12     3.8611     3.1827     0.2368	H	1	noname	0.0239
27	H13     4.6839     3.9372    -1.1496	H	1	noname	0.0239
28	H14     2.9118     3.7701    -1.1496	H	1	noname	0.0239
@<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	2
10	9	10	1
11	10	11	1
12	11	12	1
13	11	13	1
14	11	14	1
15	4	15	1
16	6	16	1
17	7	17	1
18	8	18	1
19	9	19	1
20	12	20	1
21	12	21	1
22	12	22	1
23	13	23	1
24	13	24	1
25	13	25	1
26	14	26	1
27	14	27	1
28	14	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1