@<TRIPOS>MOLECULE
DB03294
23 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -3.6141    -1.8136     0.4348	S	1	noname	-0.1220
2	O1    -2.9091    -3.2313     0.5812	O.2	1	noname	-0.1997
3	O2    -4.4871    -1.5195     1.7307	O.2	1	noname	-0.1997
4	N1    -4.6381    -1.8196    -0.9621	N.3	1	noname	-0.0107
5	C1    -2.4084    -0.5853     0.2607	C.2	1	noname	0.0283
6	C2    -1.0248    -0.9673     0.2692	C.2	1	noname	0.0584
7	C3    -2.8260     0.7756     0.1135	C.2	1	noname	0.0347
8	C4    -0.0546     0.0618     0.1244	C.2	1	noname	0.0194
9	C5    -1.8311     1.7914    -0.0304	C.2	1	noname	-0.0128
10	C6     1.3274    -0.1465     0.1127	C.2	1	noname	0.0946
11	C7    -0.4555     1.4320    -0.0244	C.2	1	noname	0.0323
12	S2     1.9593     1.4796    -0.0927	S.3	1	noname	-0.0492
13	O3     1.9565    -1.2212     0.2213	O.2	1	noname	-0.2810
14	N2     0.5005     2.3585    -0.1569	N.3	1	noname	0.0822
15	C8     0.3377     3.7501    -0.3144	C.3	1	noname	-0.0326
16	H1    -5.6421    -1.8213    -0.8522	H	1	noname	0.1404
17	H2    -4.2312    -1.8213    -1.8865	H	1	noname	0.1404
18	H3    -0.7201    -2.0077     0.3822	H	1	noname	0.0647
19	H4    -3.8848     1.0342     0.1109	H	1	noname	0.0639
20	H5    -2.1203     2.8362    -0.1443	H	1	noname	0.0629
21	H6     0.2824     4.2228     0.6663	H	1	noname	0.0285
22	H7     1.1863     4.1552    -0.8656	H	1	noname	0.0285
23	H8    -0.5816     3.9483    -0.8656	H	1	noname	0.0285
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	4	1
4	1	5	1
5	5	6	2
6	5	7	1
7	6	8	1
8	7	9	2
9	8	10	1
10	8	11	2
11	9	11	1
12	10	12	1
13	10	13	2
14	11	14	1
15	12	14	1
16	14	15	1
17	4	16	1
18	4	17	1
19	6	18	1
20	7	19	1
21	9	20	1
22	15	21	1
23	15	22	1
24	15	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1