@<TRIPOS>MOLECULE
57466653
18 18 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -1.9558    -0.7630     0.1489	S	1	noname	-0.0532
2	O1    -2.5163    -1.0643    -1.4167	O.3	1	noname	-0.1490
3	O2    -3.1377    -0.1665     1.0294	O.2	1	noname	-0.1693
4	O3    -1.4436    -2.1206     0.7989	O.2	1	noname	-0.1693
5	N1     2.4491     3.0808    -0.0633	N.3	1	noname	-0.1503
6	C1    -0.6531     0.3737     0.0861	C.2	1	noname	-0.0103
7	C2    -0.9152     1.7364     0.1678	C.2	1	noname	0.0200
8	C3     0.6556    -0.0756    -0.0459	C.2	1	noname	0.0200
9	C4     1.4401     2.2004    -0.0147	C.2	1	noname	0.0022
10	C5     0.1314     2.6497     0.1174	C.2	1	noname	-0.0419
11	C6     1.7022     0.8377    -0.0963	C.2	1	noname	-0.0419
12	H1    -1.8756     2.0661     0.2647	H	1	noname	0.0640
13	H2     0.8480    -1.0755    -0.1058	H	1	noname	0.0640
14	H3    -0.0609     3.6496     0.1773	H	1	noname	0.0639
15	H4     2.6626     0.5080    -0.1932	H	1	noname	0.0639
16	H5     2.0959     3.9815     0.0062	H	1	noname	0.1242
17	H6     2.9231     2.9833    -0.9039	H	1	noname	0.1242
18	H7    -3.3786    -1.5279    -1.3714	H	1	noname	0.2388
@<TRIPOS>BOND
1	1	2	1
2	1	3	2
3	1	4	2
4	1	6	1
5	2	18	1
6	5	9	1
7	5	16	1
8	5	17	1
9	6	7	2
10	6	8	1
11	7	10	1
12	7	12	1
13	8	11	2
14	8	13	1
15	9	10	2
16	9	11	1
17	10	14	1
18	11	15	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1