@<TRIPOS>MOLECULE
71587836
22 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.6838     4.8634     0.1030	O.2	1	noname	-0.3071
2	C1     3.3547    -0.3105    -0.3569	C.3	1	noname	-0.0376
3	C2     2.0087    -0.7773    -0.2334	C.2	1	noname	-0.0780
4	C3     4.1786    -0.8097     0.8318	C.3	1	noname	-0.0619
5	C4     1.0069     0.0943    -0.1573	C.2	1	noname	-0.0705
6	C5    -0.2450    -0.3398    -0.0425	C.2	1	noname	-0.0642
7	C6    -1.2467     0.5318     0.0336	C.2	1	noname	-0.0587
8	C7    -0.9965     1.8375    -0.0051	C.2	1	noname	-0.0388
9	C8    -1.9982     2.7091     0.0711	C.2	1	noname	0.0178
10	C9    -1.7424     4.0442     0.0315	C.2	1	noname	0.0867
11	H1     3.3614     0.7793    -0.3715	H	1	noname	0.0307
12	H2     3.7870    -0.6891    -1.2831	H	1	noname	0.0307
13	H3     1.8224    -1.7492    -0.2046	H	1	noname	0.0575
14	H4     5.2046    -0.4539     0.7377	H	1	noname	0.0233
15	H5     3.7463    -0.4312     1.7581	H	1	noname	0.0233
16	H6     4.1719    -1.8996     0.8465	H	1	noname	0.0233
17	H7     1.1932     1.0662    -0.1861	H	1	noname	0.0619
18	H8    -0.4312    -1.3117    -0.0137	H	1	noname	0.0622
19	H9    -2.1786     0.2087     0.1191	H	1	noname	0.0622
20	H10    -0.0646     2.1606    -0.0905	H	1	noname	0.0623
21	H11    -2.9301     2.3860     0.1565	H	1	noname	0.0656
22	H12    -0.7823     4.3771    -0.0566	H	1	noname	0.1091
@<TRIPOS>BOND
1	1	10	2
2	2	3	1
3	2	4	1
4	2	11	1
5	2	12	1
6	3	5	2
7	3	13	1
8	4	14	1
9	4	15	1
10	4	16	1
11	5	6	1
12	5	17	1
13	6	7	2
14	6	18	1
15	7	8	1
16	7	19	1
17	8	9	2
18	8	20	1
19	9	10	1
20	9	21	1
21	10	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1