@<TRIPOS>MOLECULE
DB03526
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -1.6698    -1.8411     0.0584	S	1	noname	-0.0897
2	O1    -1.2210    -1.7811     1.5825	O.2	1	noname	-0.1924
3	O2    -2.8660    -2.8762    -0.1015	O.2	1	noname	-0.1924
4	N1    -2.1931    -0.2707    -0.4516	N.3	1	noname	0.0068
5	C1    -0.3338    -2.3485    -0.9166	C.2	1	noname	0.1174
6	C2    -3.1831    -0.4096    -1.5184	C.3	1	noname	0.0385
7	S2    -0.2328    -2.5956    -2.6666	S.3	1	noname	-0.0822
8	C3     0.9739    -2.6804    -0.5462	C.2	1	noname	0.0662
9	C4    -3.6242     0.9141    -1.9483	C.2	1	noname	-0.0595
10	C5     1.4392    -3.1103    -2.9193	C.2	1	noname	0.1177
11	C6     1.8639    -3.0663    -1.5795	C.2	1	noname	0.0659
12	C7    -3.4397     1.3140    -3.2667	C.2	1	noname	-0.0432
13	C8    -4.2286     1.7745    -1.0392	C.2	1	noname	-0.0432
14	S3     2.2887    -3.5358    -4.3651	S	1	noname	-0.0941
15	C9    -3.8597     2.5742    -3.6760	C.2	1	noname	-0.0284
16	C10    -4.6486     3.0348    -1.4485	C.2	1	noname	-0.0284
17	O3     1.2441    -3.9283    -5.4976	O.2	1	noname	-0.1937
18	O4     3.2443    -4.7727    -4.0737	O.2	1	noname	-0.1937
19	N2     3.2363    -2.1867    -4.8961	N.3	1	noname	-0.0056
20	C11    -4.4641     3.4346    -2.7669	C.2	1	noname	0.0000
21	O5    -4.8720     4.6586    -3.1644	O.3	1	noname	-0.2774
22	C12    -3.8165     5.5912    -2.9834	C.3	1	noname	0.0423
23	H1    -1.9392     0.6588    -0.1488	H	1	noname	0.1446
24	H2    -2.6700    -0.8610    -2.3676	H	1	noname	0.0492
25	H3    -4.0508    -0.9032    -1.0808	H	1	noname	0.0492
26	H4     1.2845    -2.6403     0.4978	H	1	noname	0.0648
27	H5     2.8929    -3.3338    -1.3396	H	1	noname	0.0648
28	H6    -2.9657     0.6393    -3.9796	H	1	noname	0.0626
29	H7    -4.3732     1.4609    -0.0053	H	1	noname	0.0626
30	H8    -3.7150     2.8878    -4.7098	H	1	noname	0.0650
31	H9    -5.1225     3.7094    -0.7356	H	1	noname	0.0650
32	H10     4.2284    -2.2962    -5.0510	H	1	noname	0.1404
33	H11     2.7969    -1.2906    -5.0510	H	1	noname	0.1404
34	H12    -3.6446     5.7430    -1.9178	H	1	noname	0.0535
35	H13    -2.9081     5.2062    -3.4467	H	1	noname	0.0535
36	H14    -4.0867     6.5401    -3.4467	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	4	1
4	1	5	1
5	4	6	1
6	5	7	1
7	5	8	2
8	6	9	1
9	7	10	1
10	8	11	1
11	9	12	2
12	9	13	1
13	10	14	1
14	10	11	2
15	12	15	1
16	13	16	2
17	14	17	2
18	14	18	2
19	14	19	1
20	15	20	2
21	16	20	1
22	20	21	1
23	21	22	1
24	4	23	1
25	6	24	1
26	6	25	1
27	8	26	1
28	11	27	1
29	12	28	1
30	13	29	1
31	15	30	1
32	16	31	1
33	19	32	1
34	19	33	1
35	22	34	1
36	22	35	1
37	22	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1