@<TRIPOS>MOLECULE
71587851
28 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.3945    -0.1696     0.3134	O.3	1	noname	-0.3461
2	O2     2.4389     1.1743    -0.0213	O.3	1	noname	-0.3461
3	O3    -0.0545     2.4768     1.9923	O.3	1	noname	-0.3882
4	C1     0.2389     2.3942     0.6054	C.3	1	noname	0.1010
5	C2     1.8360    -0.0468     0.4895	C.3	1	noname	0.1768
6	C3    -0.3295     1.0621     0.0331	C.3	1	noname	0.0784
7	C4     1.7839     2.4011     0.3999	C.3	1	noname	0.0784
8	C5     2.4857    -1.1794    -0.0939	C.2	1	noname	-0.0507
9	C6     2.9905    -2.5663    -1.9746	C.3	1	noname	-0.0351
10	C7     2.3409    -1.4338    -1.3913	C.2	1	noname	-0.0657
11	C8     1.9406    -3.5030    -2.5756	C.3	1	noname	-0.0527
12	C9     2.6356    -4.7147    -3.1997	C.3	1	noname	-0.0651
13	H1    -0.2313     3.2624     0.1435	H	1	noname	0.0649
14	H2     1.9955    -0.0203     1.5674	H	1	noname	0.0971
15	H3     2.0566     3.2099    -0.2781	H	1	noname	0.0595
16	H4     2.1882     2.6688     1.3761	H	1	noname	0.0595
17	H5    -1.3697     0.9498     0.3388	H	1	noname	0.0595
18	H6    -0.2655     1.1784    -1.0488	H	1	noname	0.0595
19	H7     3.0431    -1.7740     0.4680	H	1	noname	0.0625
20	H8     3.5542    -3.0969    -1.2073	H	1	noname	0.0309
21	H9     3.6700    -2.2316    -2.7585	H	1	noname	0.0309
22	H10     1.7835    -0.8391    -1.9531	H	1	noname	0.0574
23	H11     1.2611    -3.8377    -1.7917	H	1	noname	0.0267
24	H12     1.3769    -2.9723    -3.3429	H	1	noname	0.0267
25	H13    -1.0255     2.4531     2.1228	H	1	noname	0.2106
26	H14     1.8876    -5.3820    -3.6278	H	1	noname	0.0230
27	H15     3.1993    -5.2453    -2.4324	H	1	noname	0.0230
28	H16     3.3151    -4.3800    -3.9836	H	1	noname	0.0230
@<TRIPOS>BOND
1	1	5	1
2	1	6	1
3	2	5	1
4	2	7	1
5	3	4	1
6	3	25	1
7	4	6	1
8	4	7	1
9	4	13	1
10	5	8	1
11	5	14	1
12	6	17	1
13	6	18	1
14	7	15	1
15	7	16	1
16	8	10	2
17	8	19	1
18	9	10	1
19	9	11	1
20	9	20	1
21	9	21	1
22	10	22	1
23	11	12	1
24	11	23	1
25	11	24	1
26	12	26	1
27	12	27	1
28	12	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1