@<TRIPOS>MOLECULE
DB02434
21 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     0.3531    -0.0985     0.2641	S.3	1	noname	-0.2254
2	C1     1.9922     0.2746    -0.2907	C.2	1	noname	0.0147
3	C2    -0.4322     1.4833     0.3386	C.2	1	noname	0.0097
4	C3     1.8993     1.6652    -0.4126	C.2	1	noname	-0.0243
5	C4     3.1204    -0.6158    -0.5479	C.3	1	noname	-0.0179
6	C5     0.6566     2.2644    -0.0878	C.2	1	noname	-0.0274
7	C6     3.4821    -1.3647     0.7363	C.3	1	noname	-0.0391
8	C7     4.6643    -2.2977     0.4668	C.3	1	noname	0.0338
9	C8     5.0095    -3.0124     1.6922	C.2	1	noname	0.1348
10	O1     5.9540    -3.8312     1.6933	O.2	1	noname	-0.2559
11	O2     4.3086    -2.7890     2.8242	O.3	1	noname	-0.2189
12	H1    -1.4056     1.8991     0.5988	H	1	noname	0.0739
13	H2     2.7544     2.2539    -0.7449	H	1	noname	0.0634
14	H3     2.7634    -1.3514    -1.2686	H	1	noname	0.0324
15	H4     3.9610     0.0307    -0.7999	H	1	noname	0.0324
16	H5     0.5360     3.3448    -0.1674	H	1	noname	0.0631
17	H6     3.8278    -0.6169     1.4500	H	1	noname	0.0275
18	H7     2.6301    -1.9990     0.9812	H	1	noname	0.0275
19	H8     4.3296    -3.0577    -0.2393	H	1	noname	0.0372
20	H9     5.5273    -1.6756     0.2294	H	1	noname	0.0372
21	H10     4.0636    -3.6286     3.2199	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	2
6	4	6	1
7	5	7	1
8	7	8	1
9	8	9	1
10	9	10	2
11	9	11	1
12	3	12	1
13	4	13	1
14	5	14	1
15	5	15	1
16	6	16	1
17	7	17	1
18	7	18	1
19	8	19	1
20	8	20	1
21	11	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1