@<TRIPOS>MOLECULE
86278265
26 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.0394    -3.0223     0.3653	O.2	1	noname	-0.2842
2	O2    -3.4213    -0.6254    -1.5608	O.2	1	noname	-0.2874
3	O3    -4.0268    -3.0529    -2.6360	O.3	1	noname	-0.2911
4	N1    -1.6642    -0.9409     0.0860	N.3	1	noname	-0.0600
5	N2    -0.5315    -3.0350    -1.4940	N.3	1	noname	0.0484
6	C1    -0.1918    -0.9187    -0.1186	C.3	1	noname	0.1138
7	C2     0.3301    -0.0430     1.0007	C.2	1	noname	-0.0435
8	C3     0.2052    -2.4127    -0.3382	C.2	1	noname	0.0789
9	C4    -2.4702    -1.3008    -1.1114	C.2	1	noname	0.0348
10	C5    -1.9602    -2.6408    -1.7269	C.2	1	noname	0.0170
11	C6     0.2765     1.3882     0.7618	C.2	1	noname	-0.0498
12	C7     0.7755    -0.5411     2.2815	C.2	1	noname	-0.0498
13	C8     0.6716     2.3075     1.7710	C.2	1	noname	-0.0586
14	C9     1.1703     0.3782     3.3047	C.2	1	noname	-0.0586
15	C10     1.1118     1.7819     3.0288	C.2	1	noname	-0.0611
16	C11    -2.7725    -3.4150    -2.4409	C.2	1	noname	-0.0005
17	H1     0.0848    -0.4435    -1.0657	H	1	noname	0.0618
18	H2    -2.0715    -0.7349     0.9419	H	1	noname	0.1325
19	H3    -0.0927    -3.6760    -2.0748	H	1	noname	0.1374
20	H4    -0.0480     1.7375    -0.1399	H	1	noname	0.0626
21	H5     0.8085    -1.5455     2.4561	H	1	noname	0.0626
22	H6     0.6424     3.3134     1.6045	H	1	noname	0.0622
23	H7     1.4874     0.0399     4.2132	H	1	noname	0.0622
24	H8     1.3956     2.4353     3.7588	H	1	noname	0.0622
25	H9    -2.4365    -4.2628    -2.8260	H	1	noname	0.0911
26	H10    -4.3381    -3.4039    -3.4964	H	1	noname	0.2174
@<TRIPOS>BOND
1	1	8	2
2	2	9	2
3	3	16	1
4	3	26	1
5	4	6	1
6	4	9	1
7	4	18	1
8	5	8	1
9	5	10	1
10	5	19	1
11	6	7	1
12	6	8	1
13	6	17	1
14	7	11	2
15	7	12	1
16	9	10	1
17	10	16	2
18	11	13	1
19	11	20	1
20	12	14	2
21	12	21	1
22	13	15	2
23	13	22	1
24	14	15	1
25	14	23	1
26	15	24	1
27	16	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1