@<TRIPOS>MOLECULE
71587034
17 16 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -2.4564     1.1227     0.6354	S.3	1	noname	-0.1792
2	O1     2.7740     1.1575    -2.0071	O.3	1	noname	-0.2140
3	O2     1.2024     2.1888    -0.7665	O.2	1	noname	-0.2496
4	N1     2.2638    -0.8831     0.0196	N.3	1	noname	-0.3194
5	C1     1.2087    -0.1592    -0.6876	C.3	1	noname	0.0920
6	C2     0.0320     0.0817     0.2603	C.3	1	noname	-0.0195
7	C3    -1.0722     0.8393    -0.4797	C.3	1	noname	-0.0077
8	C4     1.7274     1.1230    -1.1551	C.2	1	noname	0.1437
9	H1     0.8730    -0.7483    -1.5410	H	1	noname	0.0571
10	H2    -0.3552    -0.8755     0.6094	H	1	noname	0.0296
11	H3     0.3677     0.6709     1.1137	H	1	noname	0.0296
12	H4    -1.4078     0.2502    -1.3332	H	1	noname	0.0378
13	H5    -0.6849     1.7966    -0.8288	H	1	noname	0.0378
14	H6     1.9007    -1.7806     0.3469	H	1	noname	0.1191
15	H7     2.5785    -0.3307     0.8198	H	1	noname	0.1191
16	H8    -3.4380     1.7961    -0.0224	H	1	noname	0.1021
17	H9     2.8588     1.8928    -2.6495	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	7	1
2	1	16	1
3	2	8	1
4	2	17	1
5	3	8	2
6	5	4	1
7	4	14	1
8	4	15	1
9	5	6	1
10	5	8	1
11	5	9	1
12	6	7	1
13	6	10	1
14	6	11	1
15	7	12	1
16	7	13	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1