@<TRIPOS>MOLECULE
71587268
26 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.4803    -0.0711    -0.3208	O.3	1	noname	-0.2052
2	O2    -2.2380     2.8845     0.2551	O.3	1	noname	-0.2081
3	O3    -2.3983     0.6838     0.7063	O.2	1	noname	-0.2526
4	O4     3.2763    -1.4285    -0.2556	O.2	1	noname	-0.2551
5	C1    -0.2342     1.5034     0.3016	C.3	1	noname	0.0688
6	C2     0.0750     0.0894    -0.1944	C.3	1	noname	0.0763
7	C3     0.4287     1.7226     1.6630	C.3	1	noname	-0.0506
8	C4    -0.5879    -0.1299    -1.5558	C.3	1	noname	-0.0372
9	C5    -1.6790     1.6684     0.4316	C.2	1	noname	0.1418
10	C6     2.0393    -1.2872    -0.1443	C.2	1	noname	0.1394
11	C7     1.1991    -2.4373     0.1766	C.3	1	noname	0.0220
12	C8    -3.5618     2.9912    -0.2475	C.3	1	noname	0.0453
13	H1     0.1520     2.2313    -0.4120	H	1	noname	0.0433
14	H2    -0.3111    -0.6385     0.5192	H	1	noname	0.0615
15	H3     0.2085     2.7300     2.0163	H	1	noname	0.0239
16	H4     0.0426     0.9947     2.3766	H	1	noname	0.0239
17	H5     1.5074     1.5994     1.5659	H	1	noname	0.0239
18	H6    -1.6665    -0.0066    -1.4587	H	1	noname	0.0257
19	H7    -0.3676    -1.1372    -1.9091	H	1	noname	0.0257
20	H8    -0.2017     0.5980    -2.2694	H	1	noname	0.0257
21	H9     1.3089    -3.1951    -0.5992	H	1	noname	0.0336
22	H10     0.1572    -2.1220     0.2317	H	1	noname	0.0336
23	H11     1.5041    -2.8534     1.1367	H	1	noname	0.0336
24	H12    -3.8388     4.0428    -0.3213	H	1	noname	0.0536
25	H13    -4.2489     2.4809     0.4275	H	1	noname	0.0536
26	H14    -3.6138     2.5317    -1.2346	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