@<TRIPOS>MOLECULE
DB00909
22 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     1.0055    -2.3330    -0.1302	S	1	noname	-0.0669
2	O1     0.5260    -2.6875     1.3438	O.2	1	noname	-0.1935
3	O2     1.3784    -3.6718    -0.9026	O.2	1	noname	-0.1935
4	N1    -0.2698    -1.5172    -0.9716	N.3	1	noname	-0.0074
5	C1     2.4513    -1.2638    -0.0500	C.3	1	noname	0.1163
6	C2     2.0369     0.0890     0.3102	C.2	1	noname	0.0895
7	N2     1.1864     0.8942    -0.3704	N.2	1	noname	-0.1209
8	C3     2.4312     0.8195     1.4209	C.2	1	noname	0.0498
9	O3     1.0321     2.0647     0.2109	O.3	1	noname	-0.2925
10	C4     1.7579     2.0627     1.3524	C.2	1	noname	0.0770
11	C5     3.2750     0.4708     2.5180	C.2	1	noname	-0.0189
12	C6     1.8531     3.0356     2.3897	C.2	1	noname	0.0093
13	C7     3.3358     1.4225     3.5784	C.2	1	noname	-0.0494
14	C8     2.6428     2.6649     3.5207	C.2	1	noname	-0.0407
15	H1    -0.1703    -0.5425    -1.2169	H	1	noname	0.1400
16	H2    -1.1130    -2.0161    -1.2169	H	1	noname	0.1400
17	H3     3.0896    -1.5562     0.7838	H	1	noname	0.0546
18	H4     2.8788    -1.1340    -1.0442	H	1	noname	0.0546
19	H5     3.8371    -0.4627     2.5443	H	1	noname	0.0630
20	H6     1.3536     4.0021     2.3222	H	1	noname	0.0651
21	H7     3.9315     1.1929     4.4619	H	1	noname	0.0622
22	H8     2.7188     3.3503     4.3648	H	1	noname	0.0623
@<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	2
7	6	8	1
8	7	9	1
9	8	10	2
10	8	11	1
11	9	10	1
12	10	12	1
13	11	13	2
14	12	14	2
15	13	14	1
16	4	15	1
17	4	16	1
18	5	17	1
19	5	18	1
20	11	19	1
21	12	20	1
22	13	21	1
23	14	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1