@<TRIPOS>MOLECULE
119025924
26 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.6659     1.7326    -0.0096	O.3	1	noname	-0.3753
2	O2     2.8663    -0.3591    -1.8833	O.3	1	noname	-0.3710
3	O3     0.6978     1.5098     1.9911	O.3	1	noname	-0.3878
4	O4    -1.4386     2.3785     0.3764	O.3	1	noname	-0.3934
5	O5     0.4565    -1.8135    -2.2546	O.2	1	noname	-0.2943
6	C1     1.8385     0.5822     0.0822	C.3	1	noname	0.1182
7	C2     0.4910     0.9707     0.6938	C.3	1	noname	0.1062
8	C3     1.6156     0.0014    -1.3156	C.3	1	noname	0.1410
9	C4    -0.1879     2.0179    -0.1913	C.3	1	noname	0.0719
10	C5     0.7649    -1.1814    -1.2212	C.2	1	noname	0.1453
11	C6     3.9166     1.3720    -0.5773	C.3	1	noname	0.0362
12	C7     2.6594    -0.8982    -3.1806	C.3	1	noname	0.0367
13	H1     2.3222    -0.1638     0.7127	H	1	noname	0.0663
14	H2    -0.1442     0.0877     0.7643	H	1	noname	0.0653
15	H3     1.1320     0.7475    -1.9462	H	1	noname	0.0711
16	H4    -0.3467     1.6041    -1.1871	H	1	noname	0.0591
17	H5     0.4472     2.9009    -0.2618	H	1	noname	0.0591
18	H6     0.4223    -1.4919    -0.3121	H	1	noname	0.1071
19	H7     1.1327     0.8390     2.5581	H	1	noname	0.2106
20	H8     4.5517     2.2551    -0.6478	H	1	noname	0.0529
21	H9     3.7578     0.9583    -1.5732	H	1	noname	0.0529
22	H10     4.4002     0.6260     0.0532	H	1	noname	0.0529
23	H11     3.6195    -1.1750    -3.6164	H	1	noname	0.0529
24	H12     2.0243    -1.7812    -3.1102	H	1	noname	0.0529
25	H13     2.1758    -0.1522    -3.8112	H	1	noname	0.0529
26	H14    -1.8735     3.0492    -0.1905	H	1	noname	0.2101
@<TRIPOS>BOND
1	6	1	1
2	1	11	1
3	8	2	1
4	2	12	1
5	7	3	1
6	3	19	1
7	4	9	1
8	4	26	1
9	5	10	2
10	6	7	1
11	6	8	1
12	6	13	1
13	7	9	1
14	7	14	1
15	8	10	1
16	8	15	1
17	9	16	1
18	9	17	1
19	10	18	1
20	11	20	1
21	11	21	1
22	11	22	1
23	12	23	1
24	12	24	1
25	12	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1