@<TRIPOS>MOLECULE
DB02780
17 16 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.1506    -2.7502     0.0615	S.3	1	noname	-0.1776
2	C1     1.2291    -1.3437     0.7039	C.3	1	noname	0.0060
3	C2     0.9463    -0.3578    -0.4314	C.3	1	noname	0.0222
4	N1     2.2107     0.1066    -0.9999	N.3	1	noname	-0.3264
5	C3     0.1630     0.8377     0.1146	C.3	1	noname	0.0494
6	C4    -0.1068     1.7785    -0.9687	C.2	1	noname	0.1356
7	O1    -0.7394     2.8318    -0.7387	O.2	1	noname	-0.2554
8	O2     0.3268     1.5109    -2.2188	O.3	1	noname	-0.2185
9	H1     2.6193    -3.4655     1.0670	H	1	noname	0.1022
10	H2     0.2385    -1.6717     1.0188	H	1	noname	0.0393
11	H3     1.8600    -0.7789     1.3902	H	1	noname	0.0393
12	H4     0.3944    -0.8447    -1.2354	H	1	noname	0.0476
13	H5     2.9490    -0.5541    -1.1962	H	1	noname	0.1187
14	H6     2.3459     1.0880    -1.1962	H	1	noname	0.1187
15	H7    -0.8097     0.4717     0.4431	H	1	noname	0.0389
16	H8     0.8118     1.3644     0.8145	H	1	noname	0.0389
17	H9     0.3708     0.5604    -2.3456	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	3	4	1
4	3	5	1
5	5	6	1
6	6	7	2
7	6	8	1
8	1	9	1
9	2	10	1
10	2	11	1
11	3	12	1
12	4	13	1
13	4	14	1
14	5	15	1
15	5	16	1
16	8	17	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1