@<TRIPOS>MOLECULE
DB02689
25 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     3.8271    -1.2131     0.9408	S	1	noname	-0.0690
2	O1     3.4770    -1.3296     2.4874	O.2	1	noname	-0.1948
3	O2     4.5779    -2.5319     0.4666	O.2	1	noname	-0.1948
4	N1     4.8518     0.1592     0.6826	N.3	1	noname	-0.0087
5	C1     2.3084    -1.0143    -0.0048	C.3	1	noname	0.0802
6	C2     1.5862     0.2551     0.4511	C.3	1	noname	0.0110
7	S2     0.0675     0.4539    -0.4945	S.3	1	noname	-0.1583
8	C3    -0.7822     1.9473     0.0419	C.3	1	noname	0.0182
9	C4    -2.0730     2.1162    -0.7619	C.3	1	noname	0.1004
10	N2    -2.7632     3.3292    -0.3262	N.3	1	noname	-0.3187
11	C5    -2.9370     0.9597    -0.5438	C.2	1	noname	0.1441
12	O3    -3.2806     0.2452    -1.5102	O.2	1	noname	-0.2494
13	O4    -3.3649     0.6621     0.7015	O.3	1	noname	-0.2138
14	H1     5.8514     0.0360     0.6073	H	1	noname	0.1400
15	H2     4.4497     1.0827     0.6073	H	1	noname	0.1400
16	H3     2.5535    -0.8158    -1.0482	H	1	noname	0.0486
17	H4     1.6148    -1.8158     0.2491	H	1	noname	0.0486
18	H5     1.3411     0.0566     1.4945	H	1	noname	0.0393
19	H6     2.2798     1.0567     0.1972	H	1	noname	0.0393
20	H7    -1.1273     1.8203     1.0680	H	1	noname	0.0401
21	H8    -0.1886     2.8203    -0.2293	H	1	noname	0.0401
22	H9    -1.8798     2.1988    -1.8315	H	1	noname	0.0580
23	H10    -2.2413     4.1808    -0.1757	H	1	noname	0.1192
24	H11    -3.7618     3.3156    -0.1757	H	1	noname	0.1192
25	H12    -3.4015    -0.2913     0.8080	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	4	1
4	1	5	1
5	5	6	1
6	6	7	1
7	7	8	1
8	8	9	1
9	9	10	1
10	9	11	1
11	11	12	2
12	11	13	1
13	4	14	1
14	4	15	1
15	5	16	1
16	5	17	1
17	6	18	1
18	6	19	1
19	8	20	1
20	8	21	1
21	9	22	1
22	10	23	1
23	10	24	1
24	13	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1