@<TRIPOS>MOLECULE
57090934
35 34 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.9471    -1.0648    -0.2862	O.3	1	noname	-0.2041
2	O2    -0.1216     0.7792     0.4418	O.2	1	noname	-0.2529
3	C1    -1.2565    -0.5115    -1.1598	C.3	1	noname	0.0423
4	C2    -1.8552    -1.8705    -0.7918	C.3	1	noname	-0.0416
5	C3     1.7225    -1.2165     0.8936	C.3	1	noname	0.0645
6	C4     2.8568    -2.2099     0.6342	C.3	1	noname	-0.0266
7	C5    -2.3160    -1.8467     0.6669	C.3	1	noname	-0.0554
8	C6    -0.1152    -0.2317    -0.2934	C.2	1	noname	0.1423
9	C7     3.7451    -1.6860    -0.4960	C.3	1	noname	-0.0537
10	C8    -0.7956    -0.5353    -2.6186	C.3	1	noname	-0.0531
11	C9     0.8343    -1.7404     2.0239	C.3	1	noname	-0.0380
12	C10    -2.9147    -3.2057     1.0350	C.3	1	noname	-0.0653
13	C11     4.8794    -2.6795    -0.7554	C.3	1	noname	-0.0653
14	H1    -2.0104     0.2649    -1.0296	H	1	noname	0.0406
15	H2    -2.7072    -2.0794    -1.4387	H	1	noname	0.0274
16	H3    -1.1012    -2.6469    -0.9220	H	1	noname	0.0274
17	H4     2.1424    -0.2519     1.1789	H	1	noname	0.0606
18	H5     2.4369    -3.1745     0.3489	H	1	noname	0.0293
19	H6     3.4521    -2.3264     1.5399	H	1	noname	0.0293
20	H7    -3.0699    -1.0703     0.7971	H	1	noname	0.0264
21	H8    -1.4639    -1.6378     1.3138	H	1	noname	0.0264
22	H9     3.1499    -1.5696    -1.4017	H	1	noname	0.0265
23	H10     4.1650    -0.7215    -0.2107	H	1	noname	0.0265
24	H11    -0.3692     0.4329    -2.8808	H	1	noname	0.0238
25	H12    -1.6477    -0.7442    -3.2654	H	1	noname	0.0238
26	H13    -0.0417    -1.3117    -2.7488	H	1	noname	0.0238
27	H14     1.4295    -1.8568     2.9295	H	1	noname	0.0257
28	H15     0.0261    -1.0326     2.2087	H	1	noname	0.0257
29	H16     0.4143    -2.7049     1.7386	H	1	noname	0.0257
30	H17    -3.2430    -3.1887     2.0742	H	1	noname	0.0230
31	H18    -3.7668    -3.4146     0.3881	H	1	noname	0.0230
32	H19    -2.1607    -3.9821     0.9048	H	1	noname	0.0230
33	H20     5.5122    -2.3063    -1.5606	H	1	noname	0.0230
34	H21     4.4595    -3.6440    -1.0407	H	1	noname	0.0230
35	H22     5.4746    -2.7959     0.1502	H	1	noname	0.0230
@<TRIPOS>BOND
1	1	5	1
2	1	8	1
3	2	8	2
4	3	4	1
5	3	8	1
6	3	10	1
7	3	14	1
8	4	7	1
9	4	15	1
10	4	16	1
11	5	6	1
12	5	11	1
13	5	17	1
14	6	9	1
15	6	18	1
16	6	19	1
17	7	12	1
18	7	20	1
19	7	21	1
20	9	13	1
21	9	22	1
22	9	23	1
23	10	24	1
24	10	25	1
25	10	26	1
26	11	27	1
27	11	28	1
28	11	29	1
29	12	30	1
30	12	31	1
31	12	32	1
32	13	33	1
33	13	34	1
34	13	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1