@<TRIPOS>MOLECULE
101122392
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.1017     1.1706    -0.0805	O.3	1	noname	-0.1871
2	O2     2.2480    -3.4967     1.0428	O.3	1	noname	-0.2722
3	O3    -1.9277     1.0065    -0.4517	O.2	1	noname	-0.2879
4	O4    -2.1098     3.4614    -0.7299	O.3	1	noname	-0.2769
5	O5    -2.6622    -2.5825     0.3614	O.3	1	noname	-0.2086
6	O6    -2.6993    -0.3934    -0.1666	O.2	1	noname	-0.2564
7	C1     0.0308    -0.0964     0.0191	C.2	1	noname	0.0532
8	C2    -0.0135     2.2836    -0.5109	C.2	1	noname	0.0294
9	C3     1.4709    -0.0161     0.1406	C.2	1	noname	0.0675
10	C4     1.4242     2.3147    -0.4062	C.2	1	noname	0.0461
11	C5    -0.6859     1.0606    -0.3193	C.2	1	noname	0.0973
12	C6    -0.6524    -1.3258     0.2493	C.2	1	noname	0.0537
13	C7    -0.7609     3.4831    -0.6789	C.2	1	noname	0.0427
14	C8     2.1442     3.5389    -0.5245	C.2	1	noname	-0.0314
15	C9     1.3937     4.7392    -0.7342	C.2	1	noname	-0.0231
16	C10     2.2398    -1.1652     0.4880	C.2	1	noname	0.0387
17	C11     0.1267    -2.4713     0.5971	C.2	1	noname	0.0262
18	C12     1.5471    -2.3910     0.7133	C.2	1	noname	0.0434
19	C13    -0.0378     4.7129    -0.7920	C.2	1	noname	-0.0342
20	C14    -2.0356    -1.4077     0.1388	C.2	1	noname	0.1005
21	C15     2.0968     6.0091    -0.8914	C.3	1	noname	0.0040
22	C16     2.6173    -4.1926    -0.1386	C.3	1	noname	0.0423
23	C17    -3.8741    -2.8804    -0.3162	C.3	1	noname	0.0457
24	H1     3.1621     3.5589    -0.4618	H	1	noname	0.0653
25	H2     3.2549    -1.1122     0.5729	H	1	noname	0.0678
26	H3    -0.3401    -3.3625     0.7653	H	1	noname	0.0658
27	H4    -0.5503     5.5859    -0.9160	H	1	noname	0.0653
28	H5     2.6836     6.2128     0.0043	H	1	noname	0.0279
29	H6     1.3722     6.8095    -1.0409	H	1	noname	0.0279
30	H7     2.7595     5.9530    -1.7550	H	1	noname	0.0279
31	H8    -2.4469     4.3739    -0.8486	H	1	noname	0.2182
32	H9     3.1832    -5.0854     0.1275	H	1	noname	0.0535
33	H10     1.7199    -4.4810    -0.6860	H	1	noname	0.0535
34	H11     3.2322    -3.5456    -0.7642	H	1	noname	0.0535
35	H12    -4.2286    -3.8649    -0.0108	H	1	noname	0.0536
36	H13    -4.6242    -2.1303    -0.0657	H	1	noname	0.0536
37	H14    -3.6997    -2.8746    -1.3921	H	1	noname	0.0536
@<TRIPOS>BOND
1	1	9	1
2	1	10	1
3	2	18	1
4	2	22	1
5	3	11	2
6	4	13	1
7	4	31	1
8	5	20	1
9	5	23	1
10	6	20	2
11	7	9	1
12	7	11	1
13	7	12	2
14	8	10	1
15	8	11	1
16	8	13	2
17	9	16	2
18	10	14	2
19	12	17	1
20	12	20	1
21	13	19	1
22	14	15	1
23	14	24	1
24	15	19	2
25	15	21	1
26	16	18	1
27	16	25	1
28	17	18	2
29	17	26	1
30	19	27	1
31	21	28	1
32	21	29	1
33	21	30	1
34	22	32	1
35	22	33	1
36	22	34	1
37	23	35	1
38	23	36	1
39	23	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1