@<TRIPOS>MOLECULE
DB01662
25 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -3.4683    -2.7517     1.0329	O.2	1	noname	-0.2548
2	C1    -2.2623    -2.7509     0.7041	C.2	1	noname	0.1364
3	O2    -1.7068    -3.8607     0.1727	O.3	1	noname	-0.2180
4	C2    -1.4544    -1.5498     0.8947	C.3	1	noname	0.0462
5	C3    -0.9113    -1.0807    -0.4565	C.3	1	noname	-0.0134
6	C4    -0.2869    -1.8640     1.8323	C.3	1	noname	-0.0528
7	C5    -0.1035     0.1204    -0.2659	C.2	1	noname	-0.0261
8	C6     1.2599     0.0090    -0.0189	C.2	1	noname	0.0024
9	C7    -0.6977     1.3753    -0.3313	C.2	1	noname	-0.0479
10	O3     1.8370    -1.2097     0.0446	O.3	1	noname	-0.2848
11	C8     2.0290     1.1525     0.1626	C.2	1	noname	-0.0315
12	C9     0.0714     2.5188    -0.1498	C.2	1	noname	-0.0723
13	C10     1.4348     2.4074     0.0972	C.2	1	noname	-0.0524
14	H1    -1.4157    -4.4423     0.8788	H	1	noname	0.2213
15	H2    -2.1068    -0.7938     1.3315	H	1	noname	0.0409
16	H3    -0.2274    -1.8473    -0.8206	H	1	noname	0.0325
17	H4    -1.7624    -0.7759    -1.0655	H	1	noname	0.0325
18	H5    -0.6178    -1.7750     2.8671	H	1	noname	0.0239
19	H6     0.0632    -2.8799     1.6489	H	1	noname	0.0239
20	H7     0.5257    -1.1610     1.6489	H	1	noname	0.0239
21	H8    -1.7668     1.4626    -0.5249	H	1	noname	0.0626
22	H9     1.9555    -1.4601     0.9638	H	1	noname	0.2182
23	H10     3.0981     1.0652     0.3562	H	1	noname	0.0650
24	H11    -0.3946     3.5028    -0.2011	H	1	noname	0.0622
25	H12     2.0379     3.3041     0.2395	H	1	noname	0.0623
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	1
6	5	7	1
7	7	8	2
8	7	9	1
9	8	10	1
10	8	11	1
11	9	12	2
12	11	13	2
13	12	13	1
14	3	14	1
15	4	15	1
16	5	16	1
17	5	17	1
18	6	18	1
19	6	19	1
20	6	20	1
21	9	21	1
22	10	22	1
23	11	23	1
24	12	24	1
25	13	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1