@<TRIPOS>MOLECULE
71587183
18 17 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.9590     2.1290    -0.1596	O.3	1	noname	-0.2170
2	O2     2.8727     0.8839     1.4372	O.2	1	noname	-0.2535
3	C1     1.6622    -0.2584    -0.3483	C.3	1	noname	0.0601
4	C2     1.8901    -1.6020     0.3983	C.3	1	noname	-0.0496
5	C3     0.2304    -0.0706    -0.5974	C.2	1	noname	-0.0812
6	C4     2.2128     0.9158     0.3698	C.2	1	noname	0.1383
7	C5    -0.3922    -0.0008    -1.7896	C.2	1	noname	-0.0857
8	C6     0.1804    -0.1033    -3.0994	C.3	1	noname	-0.0469
9	H1     2.2429    -0.3263    -1.2750	H	1	noname	0.0449
10	H2     2.9679    -1.8101     0.4789	H	1	noname	0.0242
11	H3     1.4430    -2.4290    -0.1631	H	1	noname	0.0242
12	H4     1.4637    -1.5997     1.4101	H	1	noname	0.0242
13	H5    -0.3509     0.0286     0.2043	H	1	noname	0.0580
14	H6    -1.3635     0.1365    -1.7637	H	1	noname	0.0569
15	H7     1.2575    -0.2558    -3.1271	H	1	noname	0.0273
16	H8    -0.3141    -0.9032    -3.6506	H	1	noname	0.0273
17	H9    -0.0925     0.7972    -3.6497	H	1	noname	0.0273
18	H10     2.2095     2.9624     0.3169	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	6	1
2	1	18	1
3	2	6	2
4	3	4	1
5	3	5	1
6	3	6	1
7	3	9	1
8	4	10	1
9	4	11	1
10	4	12	1
11	5	7	2
12	5	13	1
13	7	8	1
14	7	14	1
15	8	15	1
16	8	16	1
17	8	17	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1