@<TRIPOS>MOLECULE
86277918
25 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.4416    -2.2018     0.2366	O.3	1	noname	-0.3794
2	O2     3.3427     1.1072     0.4666	O.3	1	noname	-0.1351
3	O3     4.9036    -2.7516    -2.1148	O.3	1	noname	-0.3794
4	O4     5.4402     0.2112     0.4479	O.2	1	noname	-0.2379
5	O5     6.8197    -0.7267    -2.9059	O.3	1	noname	-0.2097
6	O6     5.0956     0.5514    -2.2230	O.2	1	noname	-0.2441
7	N1    -0.1748     0.1643     0.0770	N.2	1	noname	-0.2429
8	C1     3.9333    -1.1468    -0.6018	C.3	1	noname	0.1754
9	C2     5.2016    -1.6142    -1.3186	C.3	1	noname	0.1748
10	C3     4.2273     0.0757     0.1718	C.2	1	noname	0.1757
11	C4     5.7020    -0.5404    -2.1720	C.2	1	noname	0.1515
12	C5     1.9733     1.2164     0.3526	C.2	1	noname	0.0403
13	C6     1.3589     2.4834     0.1356	C.2	1	noname	0.0012
14	C7     1.1315     0.0794     0.4014	C.2	1	noname	0.0388
15	C8    -0.0358     2.5358    -0.1320	C.2	1	noname	-0.0145
16	C9    -0.7822     1.3359    -0.1950	C.2	1	noname	-0.0067
17	H1     3.1219    -0.9340    -1.2978	H	1	noname	0.0744
18	H2     5.9604    -1.8757    -0.5811	H	1	noname	0.0744
19	H3     4.1238    -2.4369     0.8997	H	1	noname	0.2113
20	H4     5.7160    -3.0509    -2.5739	H	1	noname	0.2113
21	H5     1.9031     3.3617     0.1517	H	1	noname	0.0651
22	H6     1.4636    -0.8416     0.6996	H	1	noname	0.0867
23	H7    -0.5236     3.4243    -0.2798	H	1	noname	0.0639
24	H8     7.4004     0.0342    -3.1161	H	1	noname	0.2214
25	H9    -1.7858     1.3035    -0.3888	H	1	noname	0.0839
@<TRIPOS>BOND
1	8	1	1
2	1	19	1
3	2	10	1
4	2	12	1
5	9	3	1
6	3	20	1
7	4	10	2
8	5	11	1
9	5	24	1
10	6	11	2
11	7	14	1
12	7	16	2
13	8	9	1
14	8	10	1
15	8	17	1
16	9	11	1
17	9	18	1
18	12	13	1
19	12	14	2
20	13	15	2
21	13	21	1
22	14	22	1
23	15	16	1
24	15	23	1
25	16	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1