@<TRIPOS>MOLECULE
DB04749
19 18 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     0.1442     0.0991     0.2878	S.3	1	noname	-0.0314
2	C1     1.7855    -0.1924    -0.1749	C.2	1	noname	0.1274
3	C2    -0.2348     1.8471     0.0857	C.3	1	noname	0.0074
4	O1     2.2571    -1.3482    -0.1108	O.2	1	noname	-0.2836
5	C3     2.6198     0.9117    -0.6403	C.3	1	noname	0.0088
6	C4    -1.6864     2.1048     0.4950	C.3	1	noname	0.0125
7	C5     3.3375     1.5465     0.5525	C.3	1	noname	-0.0125
8	C6    -1.9875     3.4935     0.3345	C.2	1	noname	0.1235
9	S2     4.3661     2.9077    -0.0213	S.3	1	noname	-0.9965
10	O2    -3.1005     3.9119     0.6077	O.2	1	noname	-0.3062
11	H1     0.3462     2.4298     0.8005	H	1	noname	0.0389
12	H2    -0.2118     2.1037    -0.9734	H	1	noname	0.0389
13	H3     3.3792     0.4640    -1.2813	H	1	noname	0.0342
14	H4     1.9339     1.6555    -1.0457	H	1	noname	0.0342
15	H5    -2.3319     1.5815    -0.2105	H	1	noname	0.0352
16	H6    -1.7738     1.9076     1.5634	H	1	noname	0.0352
17	H7     2.5273     1.9377     1.1678	H	1	noname	0.0150
18	H8     3.9727     0.7462     0.9322	H	1	noname	0.0150
19	H9    -1.3258     4.2843    -0.0190	H	1	noname	0.1041
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	1
6	5	7	1
7	6	8	1
8	7	9	1
9	8	10	2
10	3	11	1
11	3	12	1
12	5	13	1
13	5	14	1
14	6	15	1
15	6	16	1
16	7	17	1
17	7	18	1
18	8	19	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1