@<TRIPOS>MOLECULE
72710675
21 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.6083    -1.5876     0.5745	O.3	1	noname	-0.3870
2	N1    -0.0136    -3.8866     0.1034	N.3	1	noname	-0.3277
3	C1    -0.5707    -1.5603    -0.3945	C.3	1	noname	0.0913
4	C2    -0.0222    -0.2101    -0.4824	C.2	1	noname	-0.0419
5	C3     0.5356    -2.5345     0.0154	C.3	1	noname	0.0229
6	C4     0.5488     0.3823     0.6379	C.2	1	noname	-0.0487
7	C5    -0.0711     0.4829    -1.6863	C.2	1	noname	-0.0487
8	C6     1.0710     1.6678     0.5542	C.2	1	noname	-0.0583
9	C7     0.4510     1.7684    -1.7699	C.2	1	noname	-0.0583
10	C8     1.0221     2.3608    -0.6497	C.2	1	noname	-0.0610
11	H1    -0.9718    -1.8534    -1.3647	H	1	noname	0.0665
12	H2     0.9367    -2.2414     0.9856	H	1	noname	0.0456
13	H3     1.3321    -2.5136    -0.7285	H	1	noname	0.0456
14	H4     0.5847    -0.1262     1.5213	H	1	noname	0.0626
15	H5    -0.4902     0.0481    -2.5083	H	1	noname	0.0626
16	H6     1.4900     2.1025     1.3763	H	1	noname	0.0622
17	H7     0.4151     2.2769    -2.6534	H	1	noname	0.0622
18	H8     1.4052     3.3041    -0.7111	H	1	noname	0.0622
19	H9    -2.3169    -0.9636     0.3120	H	1	noname	0.2109
20	H10     0.7254    -4.5373     0.3771	H	1	noname	0.1185
21	H11    -0.7604    -3.9062     0.8008	H	1	noname	0.1185
@<TRIPOS>BOND
1	1	3	1
2	1	19	1
3	2	5	1
4	2	20	1
5	2	21	1
6	3	4	1
7	3	5	1
8	3	11	1
9	4	6	2
10	4	7	1
11	5	12	1
12	5	13	1
13	6	8	1
14	6	14	1
15	7	9	2
16	7	15	1
17	8	10	2
18	8	16	1
19	9	10	1
20	9	17	1
21	10	18	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1