@<TRIPOS>MOLECULE
DB01008
28 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     4.2986    -1.5174     3.2563	S	1	noname	0.0298
2	O1     4.4592    -2.4865     4.5065	O.2	1	noname	-0.1604
3	O2     5.2739    -0.2727     3.4218	O.2	1	noname	-0.1604
4	O3     2.7010    -0.9734     3.1668	O.3	1	noname	-0.1354
5	C1     4.7141    -2.4090     1.7488	C.3	1	noname	0.0712
6	C2     2.1996    -1.1912     1.8562	C.3	1	noname	0.0702
7	C3     0.7533    -0.6986     1.7752	C.3	1	noname	-0.0255
8	C4     0.2129    -0.9332     0.3632	C.3	1	noname	-0.0255
9	C5    -1.2333    -0.4407     0.2822	C.3	1	noname	0.0702
10	O4    -1.7348    -0.6584    -1.0284	O.3	1	noname	-0.1354
11	S2    -3.3324    -0.1144    -1.1179	S	1	noname	0.0298
12	O5    -4.3187    -1.3012    -0.7347	O.2	1	noname	-0.1604
13	O6    -3.6431     0.3760    -2.5981	O.2	1	noname	-0.1604
14	C6    -3.5655     1.2534     0.0288	C.3	1	noname	0.0712
15	H1     4.6627    -3.4817     1.9352	H	1	noname	0.0451
16	H2     4.0076    -2.1426     0.9626	H	1	noname	0.0451
17	H3     5.7236    -2.1426     1.4357	H	1	noname	0.0451
18	H4     2.8071    -0.5634     1.2044	H	1	noname	0.0585
19	H5     2.1959    -2.2729     1.7223	H	1	noname	0.0585
20	H6     0.1682    -1.3291     2.4448	H	1	noname	0.0291
21	H7     0.7794     0.3805     1.9269	H	1	noname	0.0291
22	H8     0.7980    -0.3028    -0.3064	H	1	noname	0.0291
23	H9     0.1868    -2.0123     0.2115	H	1	noname	0.0291
24	H10    -1.8409    -1.0685     0.9340	H	1	noname	0.0585
25	H11    -1.2297     0.6410     0.4161	H	1	noname	0.0585
26	H12    -3.5026     0.8842     1.0524	H	1	noname	0.0451
27	H13    -2.7902     2.0017    -0.1359	H	1	noname	0.0451
28	H14    -4.5449     1.7026    -0.1359	H	1	noname	0.0451
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	4	1
4	1	5	1
5	4	6	1
6	6	7	1
7	7	8	1
8	8	9	1
9	9	10	1
10	10	11	1
11	11	12	2
12	11	13	2
13	11	14	1
14	5	15	1
15	5	16	1
16	5	17	1
17	6	18	1
18	6	19	1
19	7	20	1
20	7	21	1
21	8	22	1
22	8	23	1
23	9	24	1
24	9	25	1
25	14	26	1
26	14	27	1
27	14	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1