@<TRIPOS>MOLECULE
86278207
25 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.7492     3.1388     1.5145	O.3	1	noname	-0.3949
2	O2    -2.7477    -0.7341    -3.0851	O.3	1	noname	-0.3949
3	O3     2.7267    -1.9020    -0.1158	O.3	1	noname	-0.3949
4	N1    -0.4754    -0.0819    -0.2571	N.3	1	noname	-0.2964
5	C1     0.6692    -0.8327    -0.7706	C.3	1	noname	0.0217
6	C2    -0.0067     1.1533     0.3690	C.3	1	noname	0.0217
7	C3    -1.3792     0.2430    -1.3593	C.3	1	noname	0.0217
8	C4    -1.2044     1.9391     0.9064	C.3	1	noname	0.0559
9	C5    -1.8698    -1.0496    -2.0146	C.3	1	noname	0.0559
10	C6     1.6151    -1.1727     0.3829	C.3	1	noname	0.0559
11	H1     0.3197    -1.7536    -1.2374	H	1	noname	0.0454
12	H2    -2.2326     0.8028    -0.9765	H	1	noname	0.0454
13	H3    -0.8503     0.8464    -2.0971	H	1	noname	0.0454
14	H4     0.5223     1.7567    -0.3688	H	1	noname	0.0454
15	H5     0.6672     0.9111     1.1908	H	1	noname	0.0454
16	H6     1.1981    -0.2294    -1.5084	H	1	noname	0.0454
17	H7    -2.3987    -1.6529    -1.2768	H	1	noname	0.0576
18	H8    -1.8783     2.1814     0.0846	H	1	noname	0.0576
19	H9    -1.0165    -1.6094    -2.3974	H	1	noname	0.0576
20	H10    -1.7333     1.3358     1.6442	H	1	noname	0.0576
21	H11     1.0861    -1.7761     1.1207	H	1	noname	0.0576
22	H12     1.9645    -0.2518     0.8497	H	1	noname	0.0576
23	H13     3.3326    -2.1198     0.6231	H	1	noname	0.2100
24	H14    -3.0619    -1.5620    -3.5048	H	1	noname	0.2100
25	H15    -1.5164     3.6422     1.8587	H	1	noname	0.2100
@<TRIPOS>BOND
1	1	8	1
2	1	25	1
3	2	9	1
4	2	24	1
5	3	10	1
6	3	23	1
7	4	5	1
8	4	6	1
9	4	7	1
10	5	10	1
11	5	11	1
12	5	16	1
13	6	8	1
14	6	14	1
15	6	15	1
16	7	9	1
17	7	12	1
18	7	13	1
19	8	18	1
20	8	20	1
21	9	17	1
22	9	19	1
23	10	21	1
24	10	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1