@<TRIPOS>MOLECULE
90479683
26 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.3701     0.5796    -0.8376	O.3	1	noname	-0.2180
2	O2     1.5801     0.7693    -2.1912	O.2	1	noname	-0.2548
3	C1     1.1972    -0.2341    -0.1018	C.3	1	noname	0.0446
4	C2    -0.2263     0.3093    -0.2400	C.3	1	noname	-0.0411
5	C3    -0.2178     1.8234    -0.0203	C.3	1	noname	-0.0528
6	C4     1.1887    -1.7482    -0.3216	C.3	1	noname	-0.0439
7	C5    -1.6414     2.3668    -0.1585	C.3	1	noname	-0.0561
8	C6     2.0580     0.3974    -1.0977	C.2	1	noname	0.1364
9	C7     2.6123    -2.2916    -0.1833	C.3	1	noname	-0.0646
10	C8    -1.6329     3.8809     0.0612	C.3	1	noname	-0.0654
11	H1     1.5748    -0.0140     0.8967	H	1	noname	0.0408
12	H2    -0.8690    -0.1622     0.5035	H	1	noname	0.0275
13	H3    -0.6039     0.0892    -1.2386	H	1	noname	0.0275
14	H4     0.1597     2.0435     0.9783	H	1	noname	0.0267
15	H5     0.4248     2.2948    -0.7638	H	1	noname	0.0267
16	H6     0.5461    -2.2197     0.4220	H	1	noname	0.0272
17	H7     0.8112    -1.9683    -1.3201	H	1	noname	0.0272
18	H8    -2.2841     1.8953     0.5850	H	1	noname	0.0264
19	H9    -2.0189     2.1467    -1.1571	H	1	noname	0.0264
20	H10     2.6063    -3.3703    -0.3399	H	1	noname	0.0231
21	H11     2.9899    -2.0715     0.8152	H	1	noname	0.0231
22	H12     3.2550    -1.8202    -0.9268	H	1	noname	0.0231
23	H13    -2.6471     4.2680    -0.0372	H	1	noname	0.0230
24	H14    -1.2554     4.1010     1.0598	H	1	noname	0.0230
25	H15    -0.9902     4.3523    -0.6823	H	1	noname	0.0230
26	H16     3.8484     1.3361    -1.2369	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	8	1
2	1	26	1
3	2	8	2
4	3	4	1
5	3	6	1
6	3	8	1
7	3	11	1
8	4	5	1
9	4	12	1
10	4	13	1
11	5	7	1
12	5	14	1
13	5	15	1
14	6	9	1
15	6	16	1
16	6	17	1
17	7	10	1
18	7	18	1
19	7	19	1
20	9	20	1
21	9	21	1
22	9	22	1
23	10	23	1
24	10	24	1
25	10	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1