@<TRIPOS>MOLECULE
DB07483
25 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.4260    -1.2931     0.5825	S.2	1	noname	0.1230
2	O1     3.7691    -1.0070    -0.2159	O.2	1	noname	-0.2701
3	O2     2.4108    -2.9014     1.1014	O.3	1	noname	-0.2271
4	C1     0.8781    -0.9068    -0.1894	C.2	1	noname	0.0039
5	C2     0.3573    -0.3489    -1.4603	C.2	1	noname	0.0081
6	C3     0.0202    -1.3204     0.8661	C.2	1	noname	-0.0073
7	C4     1.1369     0.1119    -2.6200	C.2	1	noname	-0.0396
8	C5    -1.0854    -0.2525    -1.5565	C.2	1	noname	-0.0348
9	C6    -1.3779    -1.1971     0.7021	C.2	1	noname	-0.0475
10	C7     0.6065     0.6634    -3.8748	C.2	1	noname	-0.0433
11	C8     2.5676     0.0193    -2.5314	C.2	1	noname	-0.0433
12	C9    -1.9324    -0.6691    -0.4950	C.2	1	noname	-0.0370
13	C10     1.4577     1.0882    -4.9561	C.2	1	noname	-0.0566
14	C11     3.4497     0.4278    -3.5771	C.2	1	noname	-0.0566
15	C12     2.8573     0.9551    -4.7691	C.2	1	noname	-0.0564
16	H1     2.4106    -2.9281     2.0610	H	1	noname	0.2216
17	H2     0.4297    -1.7274     1.7906	H	1	noname	0.0631
18	H3    -1.5494     0.1470    -2.4583	H	1	noname	0.0629
19	H4    -2.0376    -1.5136     1.5100	H	1	noname	0.0622
20	H5    -0.4706     0.7621    -4.0099	H	1	noname	0.0629
21	H6     3.0085    -0.3836    -1.6196	H	1	noname	0.0629
22	H7    -3.0140    -0.5831    -0.5997	H	1	noname	0.0622
23	H8     1.0566     1.4963    -5.8839	H	1	noname	0.0622
24	H9     4.5310     0.3407    -3.4698	H	1	noname	0.0622
25	H10     3.5099     1.2739    -5.5818	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	1	4	1
4	4	5	2
5	4	6	1
6	5	7	1
7	5	8	1
8	6	9	2
9	7	10	2
10	7	11	1
11	8	12	2
12	9	12	1
13	10	13	1
14	11	14	2
15	13	15	2
16	14	15	1
17	3	16	1
18	6	17	1
19	8	18	1
20	9	19	1
21	10	20	1
22	11	21	1
23	12	22	1
24	13	23	1
25	14	24	1
26	15	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1