@<TRIPOS>MOLECULE
85763570
35 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.9428    -2.0380     3.5671	O.3	1	noname	-0.3733
2	O2    -0.9096    -1.0610     1.1372	O.3	1	noname	-0.2037
3	O3    -1.3977    -0.7510     6.9360	O.3	1	noname	-0.3936
4	O4    -1.3288    -1.6157    -1.0050	O.2	1	noname	-0.2581
5	C1    -2.2776    -0.8878     1.4764	C.3	1	noname	0.0882
6	C2    -2.4220    -0.8283     2.9984	C.3	1	noname	0.0738
7	C3    -2.0768    -1.9827     4.9797	C.3	1	noname	0.0780
8	C4    -2.7939     0.4156     0.8637	C.3	1	noname	-0.0357
9	C5    -1.2637    -0.8063     5.5235	C.3	1	noname	0.0692
10	C6    -1.5605    -3.2861     5.5924	C.3	1	noname	-0.0364
11	C7    -0.5405    -1.1412    -0.1589	C.2	1	noname	0.0883
12	C8     0.7162    -0.6962    -0.5524	C.2	1	noname	-0.0033
13	C9     0.9042    -0.1885    -1.8326	C.2	1	noname	-0.0059
14	C10     1.7848    -0.7589     0.3342	C.2	1	noname	-0.0059
15	C11     2.1608     0.2566    -2.2262	C.2	1	noname	-0.0428
16	C12     3.0415    -0.3138    -0.0593	C.2	1	noname	-0.0428
17	C13     3.2295     0.1939    -1.3395	C.2	1	noname	-0.0355
18	H1    -2.8569    -1.7259     1.0890	H	1	noname	0.0631
19	H2    -3.4720    -0.6953     3.2588	H	1	noname	0.0593
20	H3    -1.8427     0.0098     3.3859	H	1	noname	0.0593
21	H4    -3.1269    -1.8498     5.2401	H	1	noname	0.0624
22	H5    -3.8439     0.5485     1.1241	H	1	noname	0.0258
23	H6    -2.6910     0.3731    -0.2206	H	1	noname	0.0258
24	H7    -2.2145     1.2537     1.2512	H	1	noname	0.0258
25	H8    -1.6315     0.1223     5.0870	H	1	noname	0.0590
26	H9    -0.2136    -0.9393     5.2631	H	1	noname	0.0590
27	H10    -1.6634    -3.2437     6.6767	H	1	noname	0.0257
28	H11    -2.1399    -4.1242     5.2049	H	1	noname	0.0257
29	H12    -0.5105    -3.4191     5.3320	H	1	noname	0.0257
30	H13    -0.8768     0.0025     7.2844	H	1	noname	0.2101
31	H14     0.1200    -0.1425    -2.4833	H	1	noname	0.0631
32	H15     1.6469    -1.1315     1.2737	H	1	noname	0.0631
33	H16     2.2988     0.6291    -3.1657	H	1	noname	0.0622
34	H17     3.8256    -0.3598     0.5913	H	1	noname	0.0622
35	H18     4.1516     0.5205    -1.6283	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	6	1
2	1	7	1
3	2	5	1
4	2	11	1
5	3	9	1
6	3	30	1
7	4	11	2
8	5	6	1
9	5	8	1
10	5	18	1
11	6	19	1
12	6	20	1
13	7	9	1
14	7	10	1
15	7	21	1
16	8	22	1
17	8	23	1
18	8	24	1
19	9	25	1
20	9	26	1
21	10	27	1
22	10	28	1
23	10	29	1
24	11	12	1
25	12	13	2
26	12	14	1
27	13	15	1
28	13	31	1
29	14	16	2
30	14	32	1
31	15	17	2
32	15	33	1
33	16	17	1
34	16	34	1
35	17	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1