@<TRIPOS>MOLECULE
71260094
39 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     6.1946     5.3170    -0.1883	S	1	noname	0.0331
2	O1     2.5767     5.1372     3.8858	O.3	1	noname	-0.2640
3	O2    -0.2886     6.0117     2.8405	O.3	1	noname	-0.3896
4	O3    -0.9058     6.3231     7.0776	O.3	1	noname	-0.2824
5	O4     5.1356     3.9860    -0.4438	O.3	1	noname	-0.0770
6	O5     3.5825     7.8201     7.7025	O.3	1	noname	-0.2838
7	O6     3.4613     5.1868    -2.3194	O.3	1	noname	-0.2726
8	O7     7.4639     4.7759     0.8170	O.3	1	noname	-0.1146
9	O8     6.7860     5.7796    -1.6019	O.2	1	noname	-0.1257
10	O9     5.4489     6.5468     0.5250	O.2	1	noname	-0.1257
11	C1     0.1430     4.6949     3.2811	C.3	1	noname	0.0892
12	C2     1.6774     4.3822     3.0431	C.3	1	noname	0.1155
13	C3    -0.1992     4.8270     4.7740	C.3	1	noname	0.0431
14	C4     0.7896     5.6529     5.4970	C.2	1	noname	-0.0107
15	C5     2.1516     4.5959     1.6236	C.2	1	noname	-0.0380
16	C6     2.1345     5.7245     5.0480	C.2	1	noname	0.0142
17	C7     0.3879     6.3506     6.6585	C.2	1	noname	0.0127
18	C8     3.4589     4.1899     1.2511	C.2	1	noname	0.0166
19	C9     3.0784     6.4564     5.8012	C.2	1	noname	-0.0160
20	C10     1.3503     5.1302     0.5882	C.2	1	noname	-0.0317
21	C11     1.3359     7.0803     7.3931	C.2	1	noname	-0.0171
22	C12     2.6788     7.1256     6.9734	C.2	1	noname	0.0081
23	C13     3.9027     4.3678    -0.0883	C.2	1	noname	0.0422
24	C14     1.7980     5.3978    -0.6944	C.2	1	noname	-0.0135
25	C15     3.0780     4.9871    -1.0483	C.2	1	noname	0.0516
26	H1    -0.4659     3.8795     2.8361	H	1	noname	0.0635
27	H2     1.8204     3.3227     3.2593	H	1	noname	0.0688
28	H3    -1.1978     5.2796     4.8482	H	1	noname	0.0345
29	H4    -0.2534     3.8582     5.2453	H	1	noname	0.0345
30	H5     4.0769     3.7596     1.9266	H	1	noname	0.0655
31	H6     4.0558     6.5059     5.4931	H	1	noname	0.0677
32	H7     0.3709     5.3076     0.6980	H	1	noname	0.0627
33	H8    -0.4720     6.0228     1.8930	H	1	noname	0.2105
34	H9     1.0450     7.5756     8.2376	H	1	noname	0.0677
35	H10     1.1337     5.8292    -1.3671	H	1	noname	0.0651
36	H11    -0.9966     6.8593     7.8928	H	1	noname	0.2182
37	H12     4.4635     7.7557     7.2780	H	1	noname	0.2181
38	H13     4.3695     4.8407    -2.4450	H	1	noname	0.2183
39	H14     7.0901     4.2970     1.5859	H	1	noname	0.2408
@<TRIPOS>BOND
1	1	5	1
2	1	8	1
3	1	9	2
4	1	10	2
5	2	12	1
6	2	16	1
7	11	3	1
8	3	33	1
9	4	17	1
10	4	36	1
11	5	23	1
12	6	22	1
13	6	37	1
14	7	25	1
15	7	38	1
16	8	39	1
17	11	12	1
18	11	13	1
19	11	26	1
20	12	15	1
21	12	27	1
22	13	14	1
23	13	28	1
24	13	29	1
25	14	16	1
26	14	17	2
27	15	18	2
28	15	20	1
29	16	19	2
30	17	21	1
31	18	23	1
32	18	30	1
33	19	22	1
34	19	31	1
35	20	24	2
36	20	32	1
37	21	22	2
38	21	34	1
39	23	25	2
40	24	25	1
41	24	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1