@<TRIPOS>MOLECULE
57435809
34 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.1305    -0.1590     1.7587	S.3	1	noname	-0.1348
2	O1    -1.9216     1.0353    -0.4321	O.2	1	noname	-0.2823
3	O2    -1.9199    -1.6332    -1.2017	O.3	1	noname	-0.2140
4	O3    -2.0900    -2.8835     0.6639	O.2	1	noname	-0.2527
5	O4     1.9862     3.9695    -0.0800	O.2	1	noname	-0.2783
6	O5     2.8689     5.5127     3.6559	O.3	1	noname	-0.3207
7	O6     0.5449     2.8855     3.9113	O.3	1	noname	-0.2565
8	N1     0.0789    -0.3127     0.1338	N.3	1	noname	0.0612
9	N2     0.5056     2.5155     1.0783	N.3	1	noname	-0.0536
10	N3     2.7178     5.1980     2.4011	N.2	1	noname	-0.0966
11	C1     1.3640     0.2768     0.1482	C.3	1	noname	0.0924
12	C2     0.5917     1.6057    -0.0767	C.3	1	noname	0.1144
13	C3    -0.7187     0.8041    -0.1828	C.2	1	noname	0.0863
14	C4    -0.2779    -1.5449     0.4729	C.2	1	noname	0.0340
15	C5     1.7309    -1.9517     1.9204	C.3	1	noname	0.0219
16	C6     0.4834    -2.3221     1.2779	C.2	1	noname	-0.0007
17	C7    -1.4492    -2.0441    -0.0050	C.2	1	noname	0.1020
18	C8     1.4901     3.5861     1.0013	C.2	1	noname	0.0732
19	C9     0.0416    -3.5560     1.5041	C.2	1	noname	-0.0522
20	C10     1.8540     4.1801     2.2952	C.2	1	noname	0.1531
21	C11     0.9059    -4.5397     1.7369	C.2	1	noname	-0.0827
22	C12     1.4301     3.8455     3.5689	C.2	1	noname	0.1360
23	C13     2.1090     4.7075     4.4203	C.2	1	noname	0.1065
24	H1     1.9686    -0.0420    -0.7029	H	1	noname	0.0615
25	H2     0.8202     2.0724    -1.0416	H	1	noname	0.0592
26	H3    -0.1305     2.4138     1.8035	H	1	noname	0.1323
27	H4     1.6900    -2.2211     2.9758	H	1	noname	0.0431
28	H5     2.5073    -2.5727     1.4737	H	1	noname	0.0431
29	H6    -0.9308    -3.7423     1.4992	H	1	noname	0.0620
30	H7     0.5770    -5.4581     1.9053	H	1	noname	0.0538
31	H8     1.8782    -4.3534     1.7418	H	1	noname	0.0538
32	H9    -2.4618    -2.2388    -1.7492	H	1	noname	0.2217
33	H10     2.0435     4.7266     5.4380	H	1	noname	0.0953
34	H11     0.4367     2.8733     4.8852	H	1	noname	0.2183
@<TRIPOS>BOND
1	1	11	1
2	1	15	1
3	2	13	2
4	3	17	1
5	3	32	1
6	4	17	2
7	5	18	2
8	6	10	1
9	6	23	1
10	7	22	1
11	7	34	1
12	8	11	1
13	8	13	1
14	8	14	1
15	12	9	1
16	9	18	1
17	9	26	1
18	10	20	2
19	11	12	1
20	11	24	1
21	12	13	1
22	12	25	1
23	14	16	2
24	14	17	1
25	15	16	1
26	15	27	1
27	15	28	1
28	16	19	1
29	18	20	1
30	19	21	2
31	19	29	1
32	20	22	1
33	21	30	1
34	21	31	1
35	22	23	2
36	23	33	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1