@<TRIPOS>MOLECULE
73425529
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.5094    -1.2304     0.1105	O.3	1	noname	-0.3749
2	O2     1.9174     0.5173     1.7531	O.3	1	noname	-0.2084
3	O3     1.6570    -1.4418     2.8333	O.2	1	noname	-0.2425
4	C1     2.1973    -1.5809     0.5512	C.3	1	noname	0.1725
5	C2     1.0145    -1.3661    -0.3392	C.2	1	noname	-0.0231
6	C3     1.0030    -0.8212    -1.6651	C.2	1	noname	-0.0278
7	C4    -0.2488    -0.6920    -2.3693	C.2	1	noname	-0.0372
8	C5     2.1982    -3.0243     1.0586	C.3	1	noname	-0.0220
9	C6    -0.2256    -1.7633     0.2375	C.2	1	noname	-0.0402
10	C7     2.1723    -0.3869    -2.3539	C.2	1	noname	-0.0434
11	C8    -1.4596    -1.0996    -1.7581	C.2	1	noname	-0.0464
12	C9     1.9099    -0.8326     1.7715	C.2	1	noname	0.1538
13	C10    -1.4498    -1.6352    -0.4554	C.2	1	noname	-0.0522
14	C11    -0.2798    -0.1533    -3.6862	C.2	1	noname	-0.0470
15	C12     2.1427     0.1436    -3.6505	C.2	1	noname	-0.0563
16	C13     0.9109     0.2587    -4.3144	C.2	1	noname	-0.0569
17	H1     1.1966    -3.2918     1.3951	H	1	noname	0.0269
18	H2     2.5013    -3.6926     0.2526	H	1	noname	0.0269
19	H3     2.8975    -3.1168     1.8896	H	1	noname	0.0269
20	H4    -0.2807    -2.1645     1.1940	H	1	noname	0.0626
21	H5     3.1038    -0.4313    -1.9553	H	1	noname	0.0629
22	H6    -2.3645    -1.0129    -2.2511	H	1	noname	0.0629
23	H7    -2.3326    -1.9294    -0.0170	H	1	noname	0.0622
24	H8    -1.1703    -0.0566    -4.1989	H	1	noname	0.0629
25	H9     3.0187     0.4387    -4.0932	H	1	noname	0.0622
26	H10     4.1572    -1.4378     0.8159	H	1	noname	0.2120
27	H11     0.9035     0.6511    -5.2689	H	1	noname	0.0622
28	H12     1.3378     1.0189     2.3638	H	1	noname	0.2214
@<TRIPOS>BOND
1	4	1	1
2	1	26	1
3	2	12	1
4	2	28	1
5	3	12	2
6	4	5	1
7	4	8	1
8	4	12	1
9	5	6	1
10	5	9	2
11	6	7	1
12	6	10	2
13	7	11	1
14	7	14	2
15	8	17	1
16	8	18	1
17	8	19	1
18	9	13	1
19	9	20	1
20	10	15	1
21	10	21	1
22	11	13	2
23	11	22	1
24	13	23	1
25	14	16	1
26	14	24	1
27	15	16	2
28	15	25	1
29	16	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1