@<TRIPOS>MOLECULE
76957760
20 19 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.2844    -0.6890     1.0366	O.3	1	noname	-1.0307
2	O2    -1.2935    -1.2527    -1.3956	O.3	1	noname	-0.2184
3	O3    -0.8313     0.8628    -2.0150	O.2	1	noname	-0.2554
4	O4     2.8115    -2.2685    -1.1421	O.3	1	noname	-0.2189
5	O5    -1.4751     3.2353     1.1239	O.3	1	noname	-0.2189
6	O6     0.5872    -2.3551    -0.7991	O.2	1	noname	-0.2559
7	O7    -2.1322     1.1365     0.6385	O.2	1	noname	-0.2559
8	C1     0.1863     0.1179    -0.0329	C.3	1	noname	0.1441
9	C2     1.6196    -0.2861    -0.3841	C.3	1	noname	0.0458
10	C3     0.1595     1.5887     0.3878	C.3	1	noname	0.0458
11	C4    -0.6720    -0.0705    -1.1989	C.2	1	noname	0.1360
12	C5     1.6452    -1.6896    -0.7856	C.2	1	noname	0.1348
13	C6    -1.2083     1.9741     0.7229	C.2	1	noname	0.1348
14	H1     0.5207     2.2080    -0.4332	H	1	noname	0.0373
15	H2     0.8002     1.7293     1.2583	H	1	noname	0.0373
16	H3     1.9808     0.3333    -1.2051	H	1	noname	0.0373
17	H4     2.2603    -0.1454     0.4864	H	1	noname	0.0373
18	H5    -2.1561    -1.2815    -1.8598	H	1	noname	0.2212
19	H6     2.8164    -2.9984    -1.7961	H	1	noname	0.2213
20	H7    -2.3498     3.6348     0.9349	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	8	1
2	2	11	1
3	2	18	1
4	3	11	2
5	4	12	1
6	4	19	1
7	5	13	1
8	5	20	1
9	6	12	2
10	7	13	2
11	8	9	1
12	8	10	1
13	8	11	1
14	9	12	1
15	9	16	1
16	9	17	1
17	10	13	1
18	10	14	1
19	10	15	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1