@<TRIPOS>MOLECULE
60098613
20 19 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.2853    -0.0202     0.0512	O.3	1	noname	-0.2901
2	C1    -0.0880     0.3374     0.0994	C.3	1	noname	0.0707
3	C2    -0.2129     1.7602     0.0280	C.2	1	noname	-0.0720
4	C3    -1.4170     2.3243     0.0566	C.2	1	noname	-0.0800
5	C4    -2.5867     1.5082     0.1587	C.3	1	noname	-0.0469
6	C5     1.4006    -1.3335     0.1170	C.2	1	noname	-0.0504
7	C6     2.6047    -1.8977     0.0884	C.2	1	noname	-0.0390
8	C7     2.7295    -3.3204     0.1597	C.3	1	noname	-0.0447
9	H1    -0.5238    -0.0192     1.0326	H	1	noname	0.0616
10	H2    -0.6113    -0.1159    -0.7425	H	1	noname	0.0616
11	H3     0.5969     2.3252    -0.0426	H	1	noname	0.0596
12	H4    -1.5034     3.3093     0.0072	H	1	noname	0.0570
13	H5    -3.2221     1.6735    -0.7114	H	1	noname	0.0273
14	H6    -3.1347     1.7701     1.0638	H	1	noname	0.0273
15	H7    -2.2950     0.4588     0.2015	H	1	noname	0.0273
16	H8     0.5907    -1.8986     0.1877	H	1	noname	0.0891
17	H9     3.4145    -1.3326     0.0177	H	1	noname	0.0593
18	H10     3.2287    -3.6868    -0.7373	H	1	noname	0.0274
19	H11     1.7387    -3.7689     0.2330	H	1	noname	0.0274
20	H12     3.3162    -3.5901     1.0379	H	1	noname	0.0274
@<TRIPOS>BOND
1	1	2	1
2	1	6	1
3	2	3	1
4	2	9	1
5	2	10	1
6	3	4	2
7	3	11	1
8	4	5	1
9	4	12	1
10	5	13	1
11	5	14	1
12	5	15	1
13	6	7	2
14	6	16	1
15	7	8	1
16	7	17	1
17	8	18	1
18	8	19	1
19	8	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1