@<TRIPOS>MOLECULE
DB03981
24 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     3.0391    -0.4924     1.1909	S	1	noname	0.0219
2	O1     2.8119    -1.0293     2.6701	O.2	1	noname	-0.1285
3	O2     4.5695    -0.1081     0.9957	O.2	1	noname	-0.1285
4	O3     2.6148    -1.6962     0.0832	O.3	1	noname	-0.0993
5	O4     2.0780     0.8738     0.9338	O.3	1	noname	-0.1166
6	C1     1.4819    -1.2753    -0.6624	C.3	1	noname	0.1635
7	C2     1.8214     0.0329    -1.4250	C.3	1	noname	0.1920
8	C3     1.1227    -2.3604    -1.7157	C.3	1	noname	0.1083
9	O5     0.9913     0.3224    -2.6033	O.3	1	noname	-0.2275
10	O6     1.7682     1.1317    -0.5270	O.3	1	noname	-0.3653
11	O7     0.6622    -3.5290    -1.0534	O.3	1	noname	-0.3858
12	C4     0.0980    -1.8924    -2.6470	C.2	1	noname	0.0429
13	C5     0.0957    -0.6092    -3.0464	C.2	1	noname	0.0720
14	C6    -0.8503    -0.2165    -3.9411	C.2	1	noname	0.1212
15	O8    -1.2703     0.9608    -3.9302	O.2	1	noname	-0.2457
16	O9    -1.3357    -1.0980    -4.8409	O.3	1	noname	-0.2091
17	H1     1.8168     1.2451     1.7796	H	1	noname	0.2408
18	H2     0.7026    -1.1370     0.0871	H	1	noname	0.0709
19	H3     2.8335    -0.0332    -1.8242	H	1	noname	0.0954
20	H4     1.9839    -2.6544    -2.3157	H	1	noname	0.0676
21	H5     1.7839     0.8076     0.3765	H	1	noname	0.2134
22	H6     0.7132    -3.3996    -0.1035	H	1	noname	0.2110
23	H7    -0.6914    -2.5219    -3.0577	H	1	noname	0.0633
24	H8    -1.7417    -1.8355    -4.3795	H	1	noname	0.2217
@<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	13	2
14	13	14	1
15	14	15	2
16	14	16	1
17	5	17	1
18	6	18	1
19	7	19	1
20	8	20	1
21	10	21	1
22	11	22	1
23	12	23	1
24	16	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1