@<TRIPOS>MOLECULE
72710723
24 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.6646    -0.1659     0.5346	O.3	1	noname	-0.3874
2	O2     2.2677    -2.9149     1.1260	O.3	1	noname	-0.3870
3	O3     1.2231     1.7604     2.0143	O.3	1	noname	-0.3878
4	O4     0.1739    -3.4967    -0.5923	O.3	1	noname	-0.3827
5	O5    -1.3719     1.3943     2.6064	O.3	1	noname	-0.3934
6	O6    -0.7163    -0.4869    -1.4068	O.2	1	noname	-0.2944
7	C1     1.6922    -0.6022     1.4805	C.3	1	noname	0.1110
8	C2     1.1667    -2.0183     1.0596	C.3	1	noname	0.1152
9	C3     0.6370     0.5425     1.5921	C.3	1	noname	0.1056
10	C4     0.5486    -2.1478    -0.3637	C.3	1	noname	0.1376
11	C5    -0.4557     0.3097     2.6317	C.3	1	noname	0.0718
12	C6    -0.6447    -1.3658    -0.5668	C.2	1	noname	0.1451
13	H1     2.2527    -0.6892     2.4280	H	1	noname	0.0657
14	H2     0.4570    -2.3565     1.8102	H	1	noname	0.0660
15	H3     0.1545     0.7240     0.6445	H	1	noname	0.0652
16	H4     1.3013    -1.8999    -1.1144	H	1	noname	0.0708
17	H5    -0.9829    -0.6167     2.4035	H	1	noname	0.0591
18	H6    -0.0057     0.2372     3.6218	H	1	noname	0.0591
19	H7     3.4099    -0.8019     0.5153	H	1	noname	0.2106
20	H8     2.6172    -2.9359     2.0413	H	1	noname	0.2107
21	H9    -1.4606    -1.5557     0.0152	H	1	noname	0.1071
22	H10     1.9070     2.0350     1.3684	H	1	noname	0.2106
23	H11     0.9650    -4.0713    -0.5251	H	1	noname	0.2111
24	H12    -2.0736     1.2447     3.2740	H	1	noname	0.2101
@<TRIPOS>BOND
1	7	1	1
2	1	19	1
3	8	2	1
4	2	20	1
5	9	3	1
6	3	22	1
7	10	4	1
8	4	23	1
9	5	11	1
10	5	24	1
11	6	12	2
12	7	8	1
13	7	9	1
14	7	13	1
15	8	10	1
16	8	14	1
17	9	11	1
18	9	15	1
19	10	12	1
20	10	16	1
21	11	17	1
22	11	18	1
23	12	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1