@<TRIPOS>MOLECULE
DB02264
27 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -1.0536     3.5442    -1.9045	S	1	noname	0.0219
2	O1    -1.6502     2.3065    -2.7047	O.2	1	noname	-0.1285
3	O2    -0.9950     4.8142    -2.8595	O.2	1	noname	-0.1285
4	O3     0.5049     3.1701    -1.3685	O.3	1	noname	-0.0995
5	O4    -2.0401     3.8840    -0.5751	O.3	1	noname	-0.1166
6	C1     0.4942     3.0086     0.0433	C.3	1	noname	0.1620
7	C2    -0.4662     1.8621     0.4725	C.3	1	noname	0.1866
8	C3     1.9536     2.8212     0.5134	C.3	1	noname	0.1161
9	O5     0.0382     1.0497     1.5720	O.3	1	noname	-0.3333
10	O6    -1.7274     2.4092     0.8279	O.3	1	noname	-0.3656
11	O7     2.1405     3.4867     1.7538	O.3	1	noname	-0.3872
12	C4     2.4400     1.3633     0.6341	C.3	1	noname	0.1186
13	C5     1.3732     0.4943     1.3646	C.3	1	noname	0.1743
14	O8     2.6748     0.8339    -0.6624	O.3	1	noname	-0.3869
15	C6     1.2635    -0.8014     0.7008	C.2	1	noname	0.1515
16	O9     1.7090    -1.8283     1.2570	O.2	1	noname	-0.2442
17	O10     0.6808    -0.8905    -0.5138	O.3	1	noname	-0.2098
18	H1    -2.3354     3.0617    -0.1773	H	1	noname	0.2408
19	H2     0.0909     3.9365     0.4490	H	1	noname	0.0706
20	H3    -0.6283     1.1596    -0.3451	H	1	noname	0.0950
21	H4     2.5962     3.3158    -0.2150	H	1	noname	0.0659
22	H5    -1.8038     2.4423     1.7843	H	1	noname	0.2134
23	H6     2.2458     2.8372     2.4528	H	1	noname	0.2106
24	H7     3.4060     1.3199     1.1371	H	1	noname	0.0662
25	H8     1.7021     0.3823     2.3977	H	1	noname	0.0743
26	H9     2.6675    -0.1253    -0.6225	H	1	noname	0.2107
27	H10     0.5686    -1.8147    -0.7478	H	1	noname	0.2214
@<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	9	13	1
13	12	14	1
14	12	13	1
15	13	15	1
16	15	16	2
17	15	17	1
18	5	18	1
19	6	19	1
20	7	20	1
21	8	21	1
22	10	22	1
23	11	23	1
24	12	24	1
25	13	25	1
26	14	26	1
27	17	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1