@<TRIPOS>MOLECULE
69620795
35 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.8191    -1.6649    -0.0791	S	1	noname	-0.0980
2	O1    -0.0952    -2.9129     0.5892	O.2	1	noname	-0.1953
3	O2    -2.2725    -2.0916    -0.5624	O.2	1	noname	-0.1953
4	O3     3.5429     3.9248    -0.1587	O.2	1	noname	-0.3004
5	N1    -0.9449    -0.4226     1.0448	N.3	1	noname	0.0780
6	N2     4.7268     3.0750    -1.8644	N.3	1	noname	-0.0908
7	C1     0.1042    -1.1222    -1.4377	C.2	1	noname	0.0227
8	C2     1.0937    -0.1612    -1.2662	C.2	1	noname	0.0235
9	C3     1.8356     0.2749    -2.3578	C.2	1	noname	-0.0187
10	C4    -0.1435    -1.6470    -2.7007	C.2	1	noname	0.0130
11	C5    -1.2251    -0.9372     2.2500	C.2	1	noname	-0.0242
12	C6     1.5878    -0.2499    -3.6209	C.2	1	noname	-0.0190
13	C7     0.5983    -1.2109    -3.7923	C.2	1	noname	-0.0328
14	C8    -1.3770    -0.0965     3.3464	C.2	1	noname	-0.0463
15	C9    -1.3637    -2.3117     2.4036	C.2	1	noname	-0.0463
16	C10     2.8038     1.2152    -2.1901	C.2	1	noname	-0.0157
17	C11    -1.6676    -0.6302     4.5965	C.2	1	noname	-0.0598
18	C12    -1.6543    -2.8455     3.6537	C.2	1	noname	-0.0598
19	C13    -1.8062    -2.0048     4.7502	C.2	1	noname	-0.0746
20	C14     2.6857     2.1273    -1.2294	C.2	1	noname	0.0251
21	C15     3.6538     3.0675    -1.0616	C.2	1	noname	0.0108
22	H1     1.2755     0.2240    -0.3394	H	1	noname	0.0645
23	H2    -1.6544     0.1832     0.7791	H	1	noname	0.1506
24	H3    -0.8697    -2.3522    -2.8265	H	1	noname	0.0639
25	H4     2.1322     0.0701    -4.4219	H	1	noname	0.0628
26	H5     0.4165    -1.5961    -4.7191	H	1	noname	0.0623
27	H6    -1.2753     0.9122     3.2337	H	1	noname	0.0639
28	H7    -1.2522    -2.9286     1.5990	H	1	noname	0.0639
29	H8     3.5964     1.2207    -2.7832	H	1	noname	0.0630
30	H9    -1.7791    -0.0133     5.4011	H	1	noname	0.0623
31	H10    -1.7560    -3.8541     3.7665	H	1	noname	0.0623
32	H11    -2.0195    -2.3965     5.6675	H	1	noname	0.0622
33	H12     1.8930     2.1218    -0.6363	H	1	noname	0.0674
34	H13     4.8129     2.4098    -2.5650	H	1	noname	0.1274
35	H14     5.4173     3.7456    -1.7447	H	1	noname	0.1274
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	5	1
4	1	7	1
5	4	21	2
6	5	11	1
7	5	23	1
8	6	21	1
9	6	34	1
10	6	35	1
11	7	8	1
12	7	10	2
13	8	9	2
14	8	22	1
15	9	12	1
16	9	16	1
17	10	13	1
18	10	24	1
19	11	14	2
20	11	15	1
21	12	13	2
22	12	25	1
23	13	26	1
24	14	17	1
25	14	27	1
26	15	18	2
27	15	28	1
28	16	20	2
29	16	29	1
30	17	19	2
31	17	30	1
32	18	19	1
33	18	31	1
34	19	32	1
35	20	21	1
36	20	33	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1