@<TRIPOS>MOLECULE
73425469
28 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.5674     0.7508     0.7783	O.3	1	noname	-0.3467
2	O2     2.6282     3.3470    -1.5716	O.3	1	noname	-0.3783
3	O3    -0.7418     3.2522    -0.6385	O.3	1	noname	-0.3850
4	O4    -0.3131     2.5883     1.9591	O.3	1	noname	-0.3530
5	C1     1.4583     2.5571    -1.4170	C.3	1	noname	0.0905
6	C2     1.8462     1.0454    -1.4274	C.3	1	noname	0.0023
7	C3     0.6105     3.1100    -0.2291	C.3	1	noname	0.1310
8	C4     0.9009     0.1907    -0.5328	C.3	1	noname	0.0606
9	C5     0.6790     2.1897     1.0246	C.3	1	noname	0.1856
10	C6     1.4950    -1.2079    -0.3537	C.3	1	noname	-0.0385
11	C7     3.2554     3.0277    -2.8049	C.3	1	noname	0.0361
12	C8    -0.1259     1.8836     3.1777	C.3	1	noname	0.0389
13	H1     0.8275     2.7087    -2.2929	H	1	noname	0.0633
14	H2     1.8164     0.6697    -2.4502	H	1	noname	0.0320
15	H3     2.8435     0.9720    -0.9938	H	1	noname	0.0320
16	H4     0.8931     4.1297     0.0323	H	1	noname	0.0681
17	H5    -0.0437     0.1431    -1.0746	H	1	noname	0.0602
18	H6     1.6781     2.3355     1.4352	H	1	noname	0.0951
19	H7     1.7432    -1.6249    -1.3298	H	1	noname	0.0257
20	H8     0.7675    -1.8509     0.1417	H	1	noname	0.0257
21	H9     2.3973    -1.1443     0.2544	H	1	noname	0.0257
22	H10    -1.0936     2.3796    -0.9126	H	1	noname	0.2108
23	H11     4.1534     3.6341    -2.9235	H	1	noname	0.0529
24	H12     2.5679     3.2321    -3.6257	H	1	noname	0.0529
25	H13     3.5262     1.9719    -2.8122	H	1	noname	0.0529
26	H14    -0.8874     2.1896     3.8950	H	1	noname	0.0530
27	H15    -0.2089     0.8124     2.9943	H	1	noname	0.0530
28	H16     0.8624     2.1080     3.5790	H	1	noname	0.0530
@<TRIPOS>BOND
1	1	8	1
2	1	9	1
3	5	2	1
4	2	11	1
5	7	3	1
6	3	22	1
7	4	9	1
8	4	12	1
9	5	6	1
10	5	7	1
11	5	13	1
12	6	8	1
13	6	14	1
14	6	15	1
15	7	9	1
16	7	16	1
17	8	10	1
18	8	17	1
19	9	18	1
20	10	19	1
21	10	20	1
22	10	21	1
23	11	23	1
24	11	24	1
25	11	25	1
26	12	26	1
27	12	27	1
28	12	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1