@<TRIPOS>MOLECULE
59164020
23 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     4.5889     0.5569    -0.0918	O.3	1	noname	-0.3959
2	C1     2.4931    -0.6443    -0.1119	C.3	1	noname	-0.0114
3	C2    -1.5077     3.2307     0.3851	C.3	1	noname	-0.0376
4	C3     3.1810     0.7277    -0.0204	C.3	1	noname	0.0466
5	C4     1.0723    -0.9279    -0.0794	C.2	1	noname	-0.0767
6	C5    -1.3490     1.8038     0.2549	C.2	1	noname	-0.0784
7	C6    -0.0390    -0.1748     0.0306	C.2	1	noname	-0.0721
8	C7    -0.1586     1.1725     0.1523	C.2	1	noname	-0.0727
9	C8    -2.3301     3.7617    -0.7908	C.3	1	noname	-0.0619
10	H1     2.9637    -1.2350    -0.8978	H	1	noname	0.0333
11	H2     2.8849    -1.2070     0.7355	H	1	noname	0.0333
12	H3    -2.0224     3.4553     1.3193	H	1	noname	0.0307
13	H4    -0.5271     3.7066     0.3870	H	1	noname	0.0307
14	H5     2.8489     1.3564    -0.8466	H	1	noname	0.0566
15	H6     2.9201     1.2026     0.9253	H	1	noname	0.0566
16	H7     0.9054    -1.8935    -0.1565	H	1	noname	0.0576
17	H8    -2.1683     1.2483     0.2396	H	1	noname	0.0575
18	H9    -0.8976    -0.6765     0.0215	H	1	noname	0.0619
19	H10     0.6640     1.7214     0.1669	H	1	noname	0.0619
20	H11    -2.4500     4.8406    -0.6923	H	1	noname	0.0233
21	H12    -3.3107     3.2858    -0.7927	H	1	noname	0.0233
22	H13    -1.8153     3.5372    -1.7250	H	1	noname	0.0233
23	H14     5.0274     1.4314    -0.0335	H	1	noname	0.2100
@<TRIPOS>BOND
1	1	4	1
2	1	23	1
3	2	4	1
4	2	5	1
5	2	10	1
6	2	11	1
7	3	6	1
8	3	9	1
9	3	12	1
10	3	13	1
11	4	14	1
12	4	15	1
13	5	7	2
14	5	16	1
15	6	8	2
16	6	17	1
17	7	8	1
18	7	18	1
19	8	19	1
20	9	20	1
21	9	21	1
22	9	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1