@<TRIPOS>MOLECULE
117587644
34 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -1.4119     1.3469    -0.4535	S.3	1	noname	-0.0401
2	S2    -1.8543     0.3491     2.3652	S.2	1	noname	-0.1029
3	O1     1.0622    -1.1765    -1.3183	O.2	1	noname	-0.2836
4	O2     3.2608     0.3002     2.4939	O.3	1	noname	-0.2146
5	O3     2.0388     1.5716     1.1052	O.2	1	noname	-0.2504
6	N1     0.1553    -0.2488     0.5752	N.3	1	noname	0.0648
7	C1    -0.1441     0.8278    -1.5302	C.2	1	noname	0.0605
8	C2     0.3620    -0.2683    -0.8045	C.2	1	noname	0.0693
9	C3     1.1739    -0.6287     1.5455	C.3	1	noname	0.0985
10	C4     0.0936     2.7397    -3.1657	C.2	1	noname	-0.0384
11	C5     0.3128     1.4287    -2.6806	C.2	1	noname	-0.0002
12	C6    -0.9526     0.4043     0.9191	C.2	1	noname	0.0517
13	C7     0.3529     3.1720    -4.4441	C.2	1	noname	-0.0440
14	C8     0.1443     4.4452    -5.1363	C.2	1	noname	-0.0448
15	C9    -0.2462     3.7155    -2.1598	C.3	1	noname	-0.0397
16	C10     2.1727     0.4664     1.6910	C.2	1	noname	0.1427
17	C11     0.6559     4.6998    -6.4567	C.2	1	noname	-0.0513
18	C12    -0.6209     5.5380    -4.6062	C.2	1	noname	-0.0513
19	C13     0.4086     5.9292    -7.1425	C.2	1	noname	-0.0590
20	C14    -0.8646     6.7463    -5.2622	C.2	1	noname	-0.0590
21	C15    -0.3506     6.9517    -6.5474	C.2	1	noname	-0.0624
22	H1     0.7540    -0.7765     2.5459	H	1	noname	0.0548
23	H2     1.6848    -1.5573     1.2544	H	1	noname	0.0548
24	H3     0.9559     0.8964    -3.2196	H	1	noname	0.0639
25	H4     0.7979     2.4805    -5.0018	H	1	noname	0.0631
26	H5    -1.2997     3.9462    -2.2760	H	1	noname	0.0279
27	H6    -0.0739     3.2923    -1.1702	H	1	noname	0.0279
28	H7     0.2944     4.6456    -2.3355	H	1	noname	0.0279
29	H8     1.2193     3.9889    -6.9559	H	1	noname	0.0628
30	H9    -1.0714     5.5351    -3.7098	H	1	noname	0.0628
31	H10     0.7772     6.0939    -8.0816	H	1	noname	0.0622
32	H11    -1.4235     7.4734    -4.8000	H	1	noname	0.0622
33	H12    -0.5383     7.8411    -7.0280	H	1	noname	0.0622
34	H13     3.9314     1.0184     2.5408	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	7	1
2	1	12	1
3	2	12	2
4	3	8	2
5	4	16	1
6	4	34	1
7	5	16	2
8	6	8	1
9	6	9	1
10	6	12	1
11	7	8	1
12	7	11	2
13	9	16	1
14	9	22	1
15	9	23	1
16	10	11	1
17	10	13	2
18	10	15	1
19	11	24	1
20	13	14	1
21	13	25	1
22	14	17	2
23	14	18	1
24	15	26	1
25	15	27	1
26	15	28	1
27	17	19	1
28	17	29	1
29	18	20	2
30	18	30	1
31	19	21	2
32	19	31	1
33	20	21	1
34	20	32	1
35	21	33	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1