@<TRIPOS>MOLECULE
DB03406
27 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.6303    -0.4314    -1.5938	S.3	1	noname	-0.1702
2	C1    -0.0118    -0.2272     0.0902	C.3	1	noname	0.0591
3	C2     1.5457    -0.1113     0.1005	C.3	1	noname	0.0991
4	C3    -0.7425     1.0253     0.6514	C.3	1	noname	0.0981
5	O1     2.1148    -1.3983     0.2910	O.3	1	noname	-0.3888
6	C4     2.1728     0.8875     1.1128	C.3	1	noname	0.1319
7	O2     0.0432     2.2312     0.4903	O.3	1	noname	-0.3429
8	C5    -1.0526     0.8129     2.1345	C.3	1	noname	0.0708
9	O3     3.5126     1.1665     0.7342	O.3	1	noname	-0.3850
10	C6     1.3519     2.2188     1.1449	C.3	1	noname	0.1859
11	O4    -1.7199     1.9568     2.6470	O.3	1	noname	-0.3935
12	O5     2.1473     3.2778     0.6327	O.3	1	noname	-0.3530
13	C7     1.4022     4.4862     0.6618	C.3	1	noname	0.0389
14	H1    -0.7326    -1.7176    -1.8721	H	1	noname	0.1026
15	H2    -0.1515    -1.0088     0.8370	H	1	noname	0.0469
16	H3     1.8462     0.2249    -0.8918	H	1	noname	0.0642
17	H4    -1.6495     1.2200     0.0792	H	1	noname	0.0641
18	H5     2.1940    -1.5773     1.2308	H	1	noname	0.2106
19	H6     2.2517     0.4413     2.1042	H	1	noname	0.0682
20	H7    -1.7704    -0.0033     2.2159	H	1	noname	0.0591
21	H8    -0.1065     0.7624     2.6735	H	1	noname	0.0591
22	H9     4.0508     1.2786     1.5212	H	1	noname	0.2108
23	H10     1.0869     2.4430     2.1781	H	1	noname	0.0951
24	H11    -1.7057     1.9324     3.6066	H	1	noname	0.2101
25	H12     1.2226     4.7775     1.6967	H	1	noname	0.0530
26	H13     1.9636     5.2715     0.1555	H	1	noname	0.0530
27	H14     0.4485     4.3373     0.1555	H	1	noname	0.0530
@<TRIPOS>BOND
1	2	1	1
2	2	3	1
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	1
7	4	8	1
8	6	9	1
9	6	10	1
10	7	10	1
11	8	11	1
12	10	12	1
13	12	13	1
14	1	14	1
15	2	15	1
16	3	16	1
17	4	17	1
18	5	18	1
19	6	19	1
20	8	20	1
21	8	21	1
22	9	22	1
23	10	23	1
24	11	24	1
25	13	25	1
26	13	26	1
27	13	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1