@<TRIPOS>MOLECULE
71587085
26 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.0765     0.0489     0.3436	O.3	1	noname	-0.3472
2	O2     1.9751     1.0154    -0.4322	O.3	1	noname	-0.3498
3	C1     1.3611    -0.2373    -0.1708	C.3	1	noname	0.1581
4	C2     2.1746    -0.9944     0.8808	C.3	1	noname	0.0007
5	C3     3.5655    -1.3043     0.3239	C.3	1	noname	-0.0423
6	C4    -0.2721     1.1434    -0.4996	C.3	1	noname	0.0814
7	C5     0.9828     1.6639    -1.1964	C.3	1	noname	0.0759
8	C6     4.3789    -2.0614     1.3755	C.3	1	noname	-0.0626
9	C7     3.4311    -2.1651    -0.9339	C.3	1	noname	-0.0626
10	C8    -0.8879     2.2613     0.3441	C.3	1	noname	-0.0363
11	H1     1.2494    -0.7756    -1.1120	H	1	noname	0.0922
12	H2     1.6674    -1.9263     1.1308	H	1	noname	0.0321
13	H3     2.2703    -0.3811     1.7769	H	1	noname	0.0321
14	H4     4.0726    -0.3724     0.0739	H	1	noname	0.0299
15	H5    -0.9782     0.8381    -1.2719	H	1	noname	0.0625
16	H6     1.0111     1.2909    -2.2202	H	1	noname	0.0594
17	H7     1.0681     2.7505    -1.2071	H	1	noname	0.0594
18	H8     4.4220    -2.3858    -1.3307	H	1	noname	0.0233
19	H9     2.8515    -1.6257    -1.6831	H	1	noname	0.0233
20	H10     2.9239    -3.0970    -0.6839	H	1	noname	0.0233
21	H11     5.3698    -2.2822     0.9787	H	1	noname	0.0233
22	H12     3.8718    -2.9933     1.6255	H	1	noname	0.0233
23	H13     4.4747    -1.4481     2.2715	H	1	noname	0.0233
24	H14    -1.1546     3.0985    -0.3009	H	1	noname	0.0257
25	H15    -1.7819     1.8887     0.8442	H	1	noname	0.0257
26	H16    -0.1658     2.5931     1.0903	H	1	noname	0.0257
@<TRIPOS>BOND
1	1	3	1
2	1	6	1
3	2	3	1
4	2	7	1
5	3	4	1
6	3	11	1
7	4	5	1
8	4	12	1
9	4	13	1
10	5	8	1
11	5	9	1
12	5	14	1
13	6	7	1
14	6	10	1
15	6	15	1
16	7	16	1
17	7	17	1
18	8	21	1
19	8	22	1
20	8	23	1
21	9	18	1
22	9	19	1
23	9	20	1
24	10	24	1
25	10	25	1
26	10	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1