@<TRIPOS>MOLECULE
86125832
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.1014     4.4001    -1.4681	O.3	1	noname	-0.2822
2	O2    -2.1143    -1.1647     0.9530	O.3	1	noname	-0.2694
3	O3    -2.0928     0.9393    -0.4321	O.2	1	noname	-0.2911
4	O4     3.3853     0.8086    -0.7341	O.2	1	noname	-0.2905
5	O5     3.4653    -1.3120     0.6244	O.3	1	noname	-0.2697
6	O6     2.0660    -3.3642     1.8809	O.3	1	noname	-0.2628
7	C1    -0.0340     2.0066    -0.9811	C.2	1	noname	0.0818
8	C2    -0.0539    -0.1543     0.2202	C.2	1	noname	0.0404
9	C3     1.3359     1.9866    -0.9978	C.2	1	noname	0.0657
10	C4     1.3877    -0.1934     0.1393	C.2	1	noname	0.0620
11	C5    -0.8431     0.9364    -0.4034	C.2	1	noname	0.0978
12	C6     2.1503     0.8676    -0.5508	C.2	1	noname	0.0994
13	C7    -0.7322     3.1984    -1.4766	C.3	1	noname	0.0825
14	C8    -0.7673    -1.2010     0.8702	C.2	1	noname	0.0433
15	C9     2.1179    -1.2753     0.6997	C.2	1	noname	0.0570
16	C10     2.0671     3.0645    -1.3789	C.2	1	noname	0.0163
17	C11     1.4411     4.2304    -1.6148	C.2	1	noname	-0.0252
18	C12     1.3928    -2.3239     1.3451	C.2	1	noname	0.0589
19	C13    -0.0349    -2.2896     1.4328	C.2	1	noname	0.0315
20	C14     2.2246     5.3479    -2.0416	C.3	1	noname	-0.0179
21	C15    -2.4973    -0.4917     2.1433	C.3	1	noname	0.0423
22	C16     2.3893    -3.0731     3.2326	C.3	1	noname	0.0424
23	H1    -1.6256     3.3718    -0.8767	H	1	noname	0.0625
24	H2    -1.0772     2.9616    -2.4830	H	1	noname	0.0625
25	H3     3.0491     2.9930    -1.4819	H	1	noname	0.0654
26	H4    -0.5324    -3.0475     1.9003	H	1	noname	0.0679
27	H5     1.8767     5.6837    -3.0184	H	1	noname	0.0300
28	H6     2.1229     6.1594    -1.3210	H	1	noname	0.0300
29	H7     3.2715     5.0525    -2.1106	H	1	noname	0.0300
30	H8     3.7949    -2.1250     1.0612	H	1	noname	0.2183
31	H9    -3.5849    -0.4624     2.2102	H	1	noname	0.0535
32	H10    -2.0944    -1.0219     3.0062	H	1	noname	0.0535
33	H11    -2.1067     0.5258     2.1271	H	1	noname	0.0535
34	H12     2.9328    -3.9131     3.6652	H	1	noname	0.0535
35	H13     1.4724    -2.9041     3.7972	H	1	noname	0.0535
36	H14     3.0109    -2.1786     3.2729	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	13	1
2	1	17	1
3	2	14	1
4	2	21	1
5	3	11	2
6	4	12	2
7	5	15	1
8	5	30	1
9	6	18	1
10	6	22	1
11	7	9	2
12	7	11	1
13	7	13	1
14	8	10	2
15	8	11	1
16	8	14	1
17	9	12	1
18	9	16	1
19	10	12	1
20	10	15	1
21	13	23	1
22	13	24	1
23	14	19	2
24	15	18	2
25	16	17	2
26	16	25	1
27	17	20	1
28	18	19	1
29	19	26	1
30	20	27	1
31	20	28	1
32	20	29	1
33	21	31	1
34	21	32	1
35	21	33	1
36	22	34	1
37	22	35	1
38	22	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1