@<TRIPOS>MOLECULE
DB03033
19 19 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.8074    -1.5259     0.0785	S	1	noname	-0.0394
2	O1    -1.0462    -2.4060    -1.2240	O.2	1	noname	-0.2004
3	O2    -1.2724    -2.0666     1.4996	O.2	1	noname	-0.2004
4	C1    -0.0417     0.0200    -0.0506	C.2	1	noname	-0.0014
5	C2     1.3408     0.1215     0.0516	C.2	1	noname	0.0216
6	C3    -0.8090     1.1607    -0.2564	C.2	1	noname	0.0216
7	C4     1.9560     1.3637    -0.0521	C.2	1	noname	-0.0076
8	C5    -0.1938     2.4028    -0.3601	C.2	1	noname	-0.0076
9	C6     1.1888     2.5043    -0.2580	C.2	1	noname	0.0319
10	O3     1.7863     3.7106    -0.3587	O.3	1	noname	-0.2739
11	C7     1.8858     4.2986     0.9300	C.3	1	noname	0.0423
12	H1    -1.3917    -2.7054     0.1770	H	1	noname	0.1951
13	H2     1.9425    -0.7729     0.2131	H	1	noname	0.0639
14	H3    -1.8931     1.0811    -0.3366	H	1	noname	0.0639
15	H4     3.0402     1.4433     0.0280	H	1	noname	0.0650
16	H5    -0.7954     3.2972    -0.5216	H	1	noname	0.0650
17	H6     1.9441     3.5136     1.6840	H	1	noname	0.0535
18	H7     2.7822     4.9168     0.9791	H	1	noname	0.0535
19	H8     1.0076     4.9168     1.1162	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	4	1
4	4	5	2
5	4	6	1
6	5	7	1
7	6	8	2
8	7	9	2
9	8	9	1
10	9	10	1
11	10	11	1
12	1	12	1
13	5	13	1
14	6	14	1
15	7	15	1
16	8	16	1
17	11	17	1
18	11	18	1
19	11	19	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1