@<TRIPOS>MOLECULE
DB01818
28 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.8476    -1.5127    -0.7293	S	1	noname	0.0213
2	O1    -1.1212    -2.5368     0.4557	O.2	1	noname	-0.1286
3	O2    -1.1230    -2.2281    -2.1223	O.2	1	noname	-0.1286
4	O3     0.7609    -0.9978    -0.6688	O.3	1	noname	-0.1011
5	O4    -1.8725    -0.1786    -0.5688	O.3	1	noname	-0.1167
6	C1     0.8047     0.4278    -0.6836	C.3	1	noname	0.1423
7	C2     0.1323     0.9458    -2.0041	C.3	1	noname	0.1354
8	C3     2.2995     0.7813    -0.4210	C.3	1	noname	0.1134
9	O5    -1.2113     1.3193    -1.7361	O.3	1	noname	-0.3848
10	C4     0.8965     2.1563    -2.5946	C.3	1	noname	0.1839
11	O6     2.9319    -0.3012     0.2457	O.3	1	noname	-0.3873
12	C5     3.0471     1.0815    -1.7399	C.3	1	noname	0.1124
13	O7     2.3575     2.0190    -2.6325	O.3	1	noname	-0.3415
14	O8     0.4127     2.4299    -3.9013	O.3	1	noname	-0.3656
15	C6     3.3145    -0.2283    -2.4841	C.3	1	noname	0.0722
16	O9     4.0014     0.0475    -3.6959	O.3	1	noname	-0.3934
17	H1    -2.0142     0.0059     0.3626	H	1	noname	0.2408
18	H2     0.2048     0.8545     0.1202	H	1	noname	0.0681
19	H3     0.0629     0.1518    -2.7476	H	1	noname	0.0683
20	H4     2.3850     1.6277     0.2605	H	1	noname	0.0657
21	H5    -1.3495     1.3577    -0.7869	H	1	noname	0.2108
22	H6     0.7220     3.0369    -1.9763	H	1	noname	0.0949
23	H7     2.8600    -0.1782     1.1951	H	1	noname	0.2106
24	H8     3.9670     1.6102    -1.4901	H	1	noname	0.0657
25	H9     0.2431     1.6034    -4.3593	H	1	noname	0.2134
26	H10     4.0064    -0.8213    -1.8861	H	1	noname	0.0591
27	H11     2.3543    -0.6487    -2.7833	H	1	noname	0.0591
28	H12     4.2428    -0.7783    -4.1220	H	1	noname	0.2101
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	4	1
4	1	5	1
5	6	4	1
6	6	7	1
7	6	8	1
8	7	9	1
9	7	10	1
10	8	11	1
11	8	12	1
12	10	13	1
13	10	14	1
14	12	15	1
15	12	13	1
16	15	16	1
17	5	17	1
18	6	18	1
19	7	19	1
20	8	20	1
21	9	21	1
22	10	22	1
23	11	23	1
24	12	24	1
25	14	25	1
26	15	26	1
27	15	27	1
28	16	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1