@<TRIPOS>MOLECULE
58375502
21 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.3517    -0.3837    -0.6404	O.3	1	noname	-0.2203
2	O2    -1.2558    -2.0193     0.8400	O.2	1	noname	-0.2613
3	C1     1.6090    -0.1331    -1.4775	C.3	1	noname	-0.0282
4	C2     1.4979    -0.0249    -0.0106	C.2	1	noname	-0.0235
5	C3     0.7548     0.7484    -2.3894	C.3	1	noname	-0.0592
6	C4     1.4556    -1.5973    -1.8940	C.3	1	noname	-0.0592
7	C5     0.5104    -0.4890     0.8002	C.2	1	noname	0.0537
8	C6     0.7017    -0.4359     2.2529	C.3	1	noname	-0.0341
9	C7    -0.6897    -1.0114     0.3503	C.2	1	noname	0.0920
10	H1     2.6178     0.2073    -1.7110	H	1	noname	0.0340
11	H2     2.2936     0.3941     0.3976	H	1	noname	0.0583
12	H3     0.9810     0.5203    -3.4310	H	1	noname	0.0236
13	H4    -0.3005     0.5559    -2.1962	H	1	noname	0.0236
14	H5     1.5377    -1.6772    -2.9780	H	1	noname	0.0236
15	H6     0.4804    -1.9655    -1.5754	H	1	noname	0.0236
16	H7     2.2395    -2.1923    -1.4255	H	1	noname	0.0236
17	H8     0.9751     1.7973    -2.1911	H	1	noname	0.0236
18	H9    -0.0803     0.1776     2.7002	H	1	noname	0.0281
19	H10     0.6514    -1.4446     2.6631	H	1	noname	0.0281
20	H11     1.6763    -0.0014     2.4754	H	1	noname	0.0281
21	H12    -2.1619    -0.7594    -1.0247	H	1	noname	0.2216
@<TRIPOS>BOND
1	1	9	1
2	1	21	1
3	2	9	2
4	3	4	1
5	3	5	1
6	3	6	1
7	3	10	1
8	4	7	2
9	4	11	1
10	5	12	1
11	5	13	1
12	5	17	1
13	6	14	1
14	6	15	1
15	6	16	1
16	7	8	1
17	7	9	1
18	8	18	1
19	8	19	1
20	8	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1