@<TRIPOS>MOLECULE
71587528
26 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.5927     0.9755    -0.3153	O.3	1	noname	-0.2052
2	O2     0.5743     2.9560     1.2403	O.3	1	noname	-0.2081
3	O3    -1.2950     2.1770     2.2259	O.2	1	noname	-0.2526
4	O4     3.8299     1.1434    -0.1182	O.2	1	noname	-0.2551
5	C1    -0.7729     1.2030     0.0824	C.3	1	noname	0.0688
6	C2     0.4045     0.2378    -0.0692	C.3	1	noname	0.0763
7	C3    -1.9945     0.4445     0.3354	C.3	1	noname	-0.0506
8	C4     0.1401    -0.7091    -1.2416	C.3	1	noname	-0.0372
9	C5    -0.5084     2.1498     1.2547	C.2	1	noname	0.1418
10	C6     2.7841     0.4940     0.0985	C.2	1	noname	0.1394
11	C7     2.8510    -0.7852     0.7990	C.3	1	noname	0.0220
12	C8     1.1927     3.3362     2.4608	C.3	1	noname	0.0453
13	H1    -0.8881     1.7823    -0.8337	H	1	noname	0.0433
14	H2     0.5197    -0.3416     0.8468	H	1	noname	0.0615
15	H3    -2.8333     1.1321     0.4434	H	1	noname	0.0239
16	H4    -2.1829    -0.2301    -0.4998	H	1	noname	0.0239
17	H5    -1.8793    -0.1349     1.2515	H	1	noname	0.0239
18	H6    -0.7719    -1.2754    -1.0527	H	1	noname	0.0257
19	H7     0.0249    -0.1298    -2.1577	H	1	noname	0.0257
20	H8     0.9789    -1.3967    -1.3496	H	1	noname	0.0257
21	H9     3.2775    -0.6345     1.7907	H	1	noname	0.0336
22	H10     1.8476    -1.2002     0.8943	H	1	noname	0.0336
23	H11     3.4778    -1.4760     0.2350	H	1	noname	0.0336
24	H12     2.0443     3.9832     2.2504	H	1	noname	0.0536
25	H13     0.4739     3.8717     3.0809	H	1	noname	0.0536
26	H14     1.5346     2.4454     2.9878	H	1	noname	0.0536
@<TRIPOS>BOND
1	6	1	1
2	1	10	1
3	2	9	1
4	2	12	1
5	3	9	2
6	4	10	2
7	5	6	1
8	5	7	1
9	5	9	1
10	5	13	1
11	6	8	1
12	6	14	1
13	7	15	1
14	7	16	1
15	7	17	1
16	8	18	1
17	8	19	1
18	8	20	1
19	10	11	1
20	11	21	1
21	11	22	1
22	11	23	1
23	12	24	1
24	12	25	1
25	12	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1