@<TRIPOS>MOLECULE
118796430
38 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.6326     3.6100     0.5419	O.3	1	noname	-0.1545
2	O2     1.7983     5.5231    -0.5553	O.2	1	noname	-0.2571
3	C1     0.9621    -1.9829     1.0586	C.3	1	noname	0.0140
4	C2     1.1387    -0.5138     0.9866	C.2	1	noname	-0.0562
5	C3    -0.3296    -2.3772     0.3396	C.3	1	noname	-0.0561
6	C4     0.8827    -2.4159     2.5239	C.3	1	noname	-0.0561
7	C5     2.1508    -2.6730     0.3866	C.3	1	noname	-0.0561
8	C6     1.8498     0.0350    -0.1080	C.2	1	noname	-0.0488
9	C7     0.6974     0.3472     2.0235	C.2	1	noname	-0.0488
10	C8     2.2266     1.3901    -0.0803	C.2	1	noname	-0.0187
11	C9     0.8891     1.7502     1.9236	C.2	1	noname	-0.0187
12	C10     1.5949     2.2715     0.8102	C.2	1	noname	-0.0002
13	C11     1.6419     4.2993    -0.6635	C.2	1	noname	0.1094
14	C12     1.4584     3.8983    -1.9754	C.2	1	noname	0.0591
15	C13     1.3890     2.6999    -2.5577	C.2	1	noname	-0.0236
16	C14     1.2016     2.6085    -3.8712	C.2	1	noname	-0.0643
17	C15     1.1325     1.4138    -4.4516	C.2	1	noname	-0.0791
18	C16     0.9309     1.3156    -5.8639	C.3	1	noname	-0.0467
19	H1     2.0209    -3.7540     0.4396	H	1	noname	0.0239
20	H2     0.7528    -3.4968     2.5769	H	1	noname	0.0239
21	H3     0.0358    -1.9243     3.0027	H	1	noname	0.0239
22	H4     1.8029    -2.1350     3.0362	H	1	noname	0.0239
23	H5    -0.4595    -3.4581     0.3926	H	1	noname	0.0239
24	H6    -1.1765    -1.8856     0.8184	H	1	noname	0.0239
25	H7    -0.2731    -2.0687    -0.7043	H	1	noname	0.0239
26	H8     2.2074    -2.3646    -0.6573	H	1	noname	0.0239
27	H9     3.0711    -2.3922     0.8989	H	1	noname	0.0239
28	H10     2.1418    -0.5222    -0.9198	H	1	noname	0.0626
29	H11     0.2423    -0.0181     2.8726	H	1	noname	0.0626
30	H12     2.9184     1.7435    -0.7410	H	1	noname	0.0650
31	H13     0.5124     2.3812     2.6546	H	1	noname	0.0650
32	H14     1.3585     4.6523    -2.6092	H	1	noname	0.0686
33	H15     1.4771     1.8786    -2.0119	H	1	noname	0.0624
34	H16     1.1135     3.4298    -4.4170	H	1	noname	0.0619
35	H17     1.2206     0.5925    -3.9059	H	1	noname	0.0572
36	H18     0.0098     0.7676    -6.0622	H	1	noname	0.0273
37	H19     0.8578     2.3158    -6.2909	H	1	noname	0.0273
38	H20     1.7716     0.7885    -6.3151	H	1	noname	0.0273
@<TRIPOS>BOND
1	1	12	1
2	1	13	1
3	2	13	2
4	3	4	1
5	3	5	1
6	3	6	1
7	3	7	1
8	4	8	2
9	4	9	1
10	5	23	1
11	5	24	1
12	5	25	1
13	6	20	1
14	6	21	1
15	6	22	1
16	7	19	1
17	7	26	1
18	7	27	1
19	8	10	1
20	8	28	1
21	9	11	2
22	9	29	1
23	10	12	2
24	10	30	1
25	11	12	1
26	11	31	1
27	13	14	1
28	14	15	2
29	14	32	1
30	15	16	1
31	15	33	1
32	16	17	2
33	16	34	1
34	17	18	1
35	17	35	1
36	18	36	1
37	18	37	1
38	18	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1