@<TRIPOS>MOLECULE
71587529
26 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.5927    -0.2147    -1.0025	O.3	1	noname	-0.2052
2	O2     0.5743    -2.5521    -1.9398	O.3	1	noname	-0.2081
3	O3    -1.2950    -3.0162    -0.7724	O.2	1	noname	-0.2526
4	O4     3.8299    -0.4694    -1.0493	O.2	1	noname	-0.2551
5	C1    -0.7729    -0.6728    -1.0006	C.3	1	noname	0.0688
6	C2     0.4045    -0.0589    -0.2405	C.3	1	noname	0.0763
7	C3    -1.9945    -0.5127    -0.2172	C.3	1	noname	-0.0506
8	C4     0.1401     1.4298    -0.0067	C.3	1	noname	-0.0372
9	C5    -0.5084    -2.1615    -1.2344	C.2	1	noname	0.1418
10	C6     2.7841    -0.3323    -0.3786	C.2	1	noname	0.1394
11	C7     2.8510    -0.2993     1.0795	C.3	1	noname	0.0220
12	C8     1.1927    -3.7992    -1.6588	C.3	1	noname	0.0453
13	H1    -0.8881    -0.1691    -1.9604	H	1	noname	0.0433
14	H2     0.5197    -0.5626     0.7192	H	1	noname	0.0615
15	H3    -2.8333    -0.9501    -0.7587	H	1	noname	0.0239
16	H4    -2.1829     0.5479    -0.0506	H	1	noname	0.0239
17	H5    -1.8793    -1.0164     0.7425	H	1	noname	0.0239
18	H6    -0.7719     1.5494     0.5781	H	1	noname	0.0257
19	H7     0.0249     1.9335    -0.9665	H	1	noname	0.0257
20	H8     0.9789     1.8672     0.5348	H	1	noname	0.0257
21	H9     3.2775    -1.2335     1.4449	H	1	noname	0.0336
22	H10     1.8476    -0.1744     1.4865	H	1	noname	0.0336
23	H11     3.4778     0.5345     1.3957	H	1	noname	0.0336
24	H12     2.0443    -3.9405    -2.3243	H	1	noname	0.0536
25	H13     0.4739    -4.6040    -1.8126	H	1	noname	0.0536
26	H14     1.5346    -3.8102    -0.6239	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