@<TRIPOS>MOLECULE
DB00822
36 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.6372    -2.1596    -0.2364	S.2	1	noname	-0.1070
2	C1     0.8665    -2.4910     0.4841	C.2	1	noname	0.0206
3	S2     1.5960    -1.3376     1.4977	S.3	1	noname	-0.0315
4	N1     1.4630    -3.6352     0.2581	N.3	1	noname	-0.0999
5	S3     1.9253     0.4068     0.4330	S.3	1	noname	-0.0315
6	C2     2.2969    -3.5153    -0.8726	C.3	1	noname	0.0015
7	C3     2.2404    -3.9895     1.3799	C.3	1	noname	0.0015
8	C4     2.9492     0.0818    -0.8846	C.2	1	noname	0.0206
9	C5     2.9936    -4.8517    -1.1364	C.3	1	noname	-0.0520
10	C6     1.3356    -4.1196     2.6068	C.3	1	noname	-0.0520
11	S4     4.5099    -0.5361    -0.6160	S.2	1	noname	-0.1070
12	N2     2.5355     0.3076    -2.1069	N.3	1	noname	-0.0999
13	C7     2.8659     1.6269    -2.4788	C.3	1	noname	0.0015
14	C8     3.1582    -0.5993    -2.9889	C.3	1	noname	0.0015
15	C9     2.1901     2.6109    -1.5217	C.3	1	noname	-0.0520
16	C10     2.6751    -0.3356    -4.4164	C.3	1	noname	-0.0520
17	H1     1.6248    -3.3121    -1.7063	H	1	noname	0.0432
18	H2     3.0568    -2.7850    -0.5945	H	1	noname	0.0432
19	H3     2.6455    -4.9751     1.1505	H	1	noname	0.0432
20	H4     2.9136    -3.1477     1.5419	H	1	noname	0.0432
21	H5     3.2410    -5.3262    -0.1868	H	1	noname	0.0243
22	H6     2.3289    -5.5019    -1.7052	H	1	noname	0.0243
23	H7     3.9073    -4.6790    -1.7052	H	1	noname	0.0243
24	H8     1.1726    -5.1744     2.8279	H	1	noname	0.0243
25	H9     1.8111    -3.6385     3.4616	H	1	noname	0.0243
26	H10     0.3785    -3.6385     2.4051	H	1	noname	0.0243
27	H11     3.9442     1.7043    -2.3401	H	1	noname	0.0432
28	H12     2.4325     1.7645    -3.4694	H	1	noname	0.0432
29	H13     4.2215    -0.3641    -2.9412	H	1	noname	0.0432
30	H14     2.8039    -1.5849    -2.6869	H	1	noname	0.0432
31	H15     2.3936     2.3147    -0.4926	H	1	noname	0.0243
32	H16     2.5814     3.6134    -1.6953	H	1	noname	0.0243
33	H17     1.1141     2.6058    -1.6953	H	1	noname	0.0243
34	H18     2.5035    -1.2853    -4.9232	H	1	noname	0.0243
35	H19     1.7457     0.2331    -4.3863	H	1	noname	0.0243
36	H20     3.4317     0.2331    -4.9569	H	1	noname	0.0243
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	1
6	4	7	1
7	5	8	1
8	6	9	1
9	7	10	1
10	8	11	2
11	8	12	1
12	12	13	1
13	12	14	1
14	13	15	1
15	14	16	1
16	6	17	1
17	6	18	1
18	7	19	1
19	7	20	1
20	9	21	1
21	9	22	1
22	9	23	1
23	10	24	1
24	10	25	1
25	10	26	1
26	13	27	1
27	13	28	1
28	14	29	1
29	14	30	1
30	15	31	1
31	15	32	1
32	15	33	1
33	16	34	1
34	16	35	1
35	16	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1