@<TRIPOS>MOLECULE
68481335
27 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.6268    -2.2486     3.7126	O.3	1	noname	-0.2100
2	O2     1.8903    -2.6975    10.2890	O.3	1	noname	-0.2191
3	O3    -0.6449    -3.6483     2.2466	O.2	1	noname	-0.2586
4	O4     3.8994    -1.6925    10.1284	O.2	1	noname	-0.2598
5	C1     1.7980    -2.6930     6.0947	C.2	1	noname	-0.0071
6	C2     3.0109    -2.8531     5.4350	C.2	1	noname	0.0005
7	C3     0.6073    -2.7282     5.3783	C.2	1	noname	0.0102
8	C4     1.7756    -2.4976     7.4707	C.2	1	noname	0.0098
9	C5     0.6296    -2.9236     4.0023	C.2	1	noname	0.0023
10	C6     3.0333    -3.0484     4.0590	C.2	1	noname	-0.0241
11	C7     4.2016    -2.8178     6.1514	C.2	1	noname	-0.0242
12	C8     2.9663    -2.4623     8.1871	C.2	1	noname	0.0021
13	C9     1.8426    -3.0837     3.3426	C.2	1	noname	-0.0001
14	C10     4.1793    -2.6224     7.5275	C.2	1	noname	-0.0006
15	C11    -0.5610    -2.9589     3.2859	C.2	1	noname	0.0872
16	C12     2.9439    -2.2669     9.5631	C.2	1	noname	0.0841
17	C13    -2.5684    -1.7486     2.7746	C.3	1	noname	0.0457
18	H1    -0.2828    -2.6108     5.8623	H	1	noname	0.0637
19	H2     0.8855    -2.3801     7.9547	H	1	noname	0.0637
20	H3     3.9234    -3.1659     3.5750	H	1	noname	0.0629
21	H4     5.0917    -2.9353     5.6674	H	1	noname	0.0629
22	H5     1.8590    -3.2271     2.3329	H	1	noname	0.0631
23	H6     5.0530    -2.5965     8.0531	H	1	noname	0.0631
24	H7    -3.3527    -1.2052     3.3015	H	1	noname	0.0536
25	H8    -3.0092    -2.5797     2.2241	H	1	noname	0.0536
26	H9    -2.0662    -1.0772     2.0782	H	1	noname	0.0536
27	H10     1.6336    -2.2248    11.1082	H	1	noname	0.2216
@<TRIPOS>BOND
1	1	15	1
2	1	17	1
3	2	16	1
4	2	27	1
5	3	15	2
6	4	16	2
7	5	6	2
8	5	7	1
9	5	8	1
10	6	10	1
11	6	11	1
12	7	9	2
13	7	18	1
14	8	12	2
15	8	19	1
16	9	13	1
17	9	15	1
18	10	13	2
19	10	20	1
20	11	14	2
21	11	21	1
22	12	14	1
23	12	16	1
24	13	22	1
25	14	23	1
26	17	24	1
27	17	25	1
28	17	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1