@<TRIPOS>MOLECULE
DB04370
18 17 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.8937    -1.2605    -0.3200	S	1	noname	0.0085
2	S2     1.4341    -0.3831     0.8566	S.3	1	noname	0.0940
3	O1     2.5775    -2.8095    -0.4897	O.2	1	noname	-0.1536
4	O2     4.3127    -1.0823     0.3749	O.2	1	noname	-0.1536
5	O3     2.9134    -0.5199    -1.8390	O.3	1	noname	-0.1375
6	C1     0.0956     0.2101    -0.1906	C.3	1	noname	0.0381
7	C2    -0.9832     0.8586     0.6791	C.3	1	noname	0.1017
8	N1    -2.0704     1.3405    -0.1714	N.3	1	noname	-0.3187
9	C3    -0.4065     1.9806     1.4141	C.2	1	noname	0.1441
10	O4    -0.4179     1.9809     2.6641	O.2	1	noname	-0.2493
11	O5     0.1390     3.0177     0.7438	O.3	1	noname	-0.2138
12	H1     2.9222    -1.1932    -2.5232	H	1	noname	0.2393
13	H2     0.4570     1.0285    -0.8133	H	1	noname	0.0416
14	H3    -0.4119    -0.6394    -0.6476	H	1	noname	0.0416
15	H4    -1.4004     0.1576     1.4021	H	1	noname	0.0580
16	H5    -2.0914     2.3066    -0.4652	H	1	noname	0.1192
17	H6    -2.8003     0.7073    -0.4652	H	1	noname	0.1192
18	H7     0.4776     3.6612     1.3705	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	1
2	1	3	2
3	1	4	2
4	1	5	1
5	2	6	1
6	6	7	1
7	7	8	1
8	7	9	1
9	9	10	2
10	9	11	1
11	5	12	1
12	6	13	1
13	6	14	1
14	7	15	1
15	8	16	1
16	8	17	1
17	11	18	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1