@<TRIPOS>MOLECULE
DB02036
26 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.2089     1.4244    -0.6884	S.3	1	noname	-0.1024
2	C1     1.3455    -0.1042    -0.7423	C.2	1	noname	-0.0050
3	C2     1.0562     2.7620    -0.1959	C.3	1	noname	0.0917
4	C3     0.0387    -0.1778    -0.1499	C.2	1	noname	-0.0014
5	C4     2.0102    -1.2746    -1.2033	C.2	1	noname	-0.0328
6	C5    -0.3944     2.2824     0.0220	C.2	1	noname	0.1366
7	C6     1.0630     3.8536    -1.2818	C.3	1	noname	0.0439
8	N1    -0.5733     0.9101     0.3750	N.3	1	noname	-0.1316
9	C7    -0.6087    -1.4380     0.0073	C.2	1	noname	-0.0308
10	C8     1.3559    -2.5392    -1.0406	C.2	1	noname	-0.0566
11	O1    -1.3664     3.0581    -0.1045	O.2	1	noname	-0.2710
12	C9     2.4126     4.3928    -1.4214	C.2	1	noname	0.0835
13	C10     0.0590    -2.6183    -0.4407	C.2	1	noname	-0.0539
14	O2     2.6416     5.2963    -2.2543	O.2	1	noname	-0.2820
15	N2     3.4057     3.9191    -0.6565	N.3	1	noname	0.0125
16	O3     4.6074     4.3992    -0.7808	O.3	1	noname	-0.3196
17	H1     1.2583     3.2659     0.7493	H	1	noname	0.0521
18	H2     2.9936    -1.2044    -1.6683	H	1	noname	0.0634
19	H3     0.8337     3.3750    -2.2339	H	1	noname	0.0378
20	H4     0.4478     4.6796    -0.9249	H	1	noname	0.0378
21	H5    -1.2306     0.6737     1.1045	H	1	noname	0.1371
22	H6    -1.5975    -1.4980     0.4621	H	1	noname	0.0639
23	H7     1.8500    -3.4508    -1.3768	H	1	noname	0.0623
24	H8    -0.4252    -3.5878    -0.3237	H	1	noname	0.0623
25	H9     3.2462     3.1896     0.0235	H	1	noname	0.1641
26	H10     4.9836     4.5495     0.0896	H	1	noname	0.2380
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	1
6	3	7	1
7	4	8	1
8	4	9	1
9	5	10	2
10	6	11	2
11	6	8	1
12	7	12	1
13	9	13	2
14	10	13	1
15	12	14	2
16	12	15	1
17	15	16	1
18	3	17	1
19	5	18	1
20	7	19	1
21	7	20	1
22	8	21	1
23	9	22	1
24	10	23	1
25	13	24	1
26	15	25	1
27	16	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1