@<TRIPOS>MOLECULE
86278221
25 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.0544    -1.6613     0.2705	O.3	1	noname	-0.2078
2	O2    -2.0671    -1.2563    -0.3680	O.2	1	noname	-0.2587
3	O3     0.2625     4.4814    -1.1323	O.3	1	noname	-0.2830
4	C1     0.9795    -3.5437     1.4565	C.3	1	noname	-0.0318
5	C2    -0.2873    -2.7651     1.0960	C.3	1	noname	0.0565
6	C3     0.6114    -4.7330     2.3459	C.3	1	noname	-0.0632
7	C4    -0.6143     0.5098    -0.4151	C.2	1	noname	-0.0163
8	C5    -0.9094    -0.8269    -0.1737	C.2	1	noname	0.0842
9	C6     0.6657     0.8782    -0.8125	C.2	1	noname	0.0048
10	C7    -1.5992     1.4781    -0.2591	C.2	1	noname	0.0048
11	C8     0.9608     2.2149    -1.0539	C.2	1	noname	-0.0138
12	C9    -1.3042     2.8148    -0.5005	C.2	1	noname	-0.0138
13	C10    -0.0241     3.1832    -0.8979	C.2	1	noname	0.0225
14	H1     1.4555    -3.9053     0.5450	H	1	noname	0.0287
15	H2     1.6683    -2.8896     1.9911	H	1	noname	0.0287
16	H3    -0.9760    -3.4192     0.5613	H	1	noname	0.0573
17	H4    -0.7632    -2.4035     2.0075	H	1	noname	0.0573
18	H5     1.5139    -5.2877     2.6027	H	1	noname	0.0231
19	H6    -0.0773    -5.3871     1.8112	H	1	noname	0.0231
20	H7     0.1354    -4.3714     3.2574	H	1	noname	0.0231
21	H8     1.3885     0.1676    -0.9270	H	1	noname	0.0632
22	H9    -2.5385     1.2078     0.0325	H	1	noname	0.0632
23	H10     1.9001     2.4852    -1.3456	H	1	noname	0.0650
24	H11    -2.0269     3.5254    -0.3860	H	1	noname	0.0650
25	H12     1.2010     4.5653    -1.4015	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	5	1
2	1	8	1
3	2	8	2
4	3	13	1
5	3	25	1
6	4	5	1
7	4	6	1
8	4	14	1
9	4	15	1
10	5	16	1
11	5	17	1
12	6	18	1
13	6	19	1
14	6	20	1
15	7	8	1
16	7	9	2
17	7	10	1
18	9	11	1
19	9	21	1
20	10	12	2
21	10	22	1
22	11	13	2
23	11	23	1
24	12	13	1
25	12	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1