@<TRIPOS>MOLECULE
76966607
21 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.7855     1.3747     0.1657	O.3	1	noname	0.0000
2	N1     1.5258    -0.1084    -0.4839	N.3	1	noname	0.0000
3	C1     0.1518     0.2959    -0.7771	C.3	1	noname	0.0000
4	C2     2.1018    -0.7639    -1.6569	C.3	1	noname	0.0000
5	C3     1.5301    -1.0376     0.6448	C.3	1	noname	0.0000
6	C4     2.3197     1.0720    -0.1464	C.3	1	noname	0.0000
7	C5    -0.4509     0.9820     0.4505	C.3	1	noname	0.0000
8	H1    -0.4401    -0.5841    -1.0287	H	1	noname	0.0000
9	H2     0.1487     0.9887    -1.6186	H	1	noname	0.0000
10	H3     3.3441     0.7705     0.0722	H	1	noname	0.0000
11	H4     1.8903     1.5607     0.7282	H	1	noname	0.0000
12	H5     2.3166     1.7647    -0.9879	H	1	noname	0.0000
13	H6     2.5545    -1.3390     0.8634	H	1	noname	0.0000
14	H7     0.9382    -1.9176     0.3932	H	1	noname	0.0000
15	H8     1.1007    -0.5488     1.5194	H	1	noname	0.0000
16	H9     3.1262    -1.0654    -1.4383	H	1	noname	0.0000
17	H10     1.5099    -1.6440    -1.9086	H	1	noname	0.0000
18	H11     2.0986    -0.0712    -2.4985	H	1	noname	0.0000
19	H12    -0.4478     0.2892     1.2920	H	1	noname	0.0000
20	H13     0.1409     1.8620     0.7021	H	1	noname	0.0000
21	H14    -2.1715     1.8141     0.9520	H	1	noname	0.0000
@<TRIPOS>BOND
1	1	7	1
2	1	21	1
3	2	3	1
4	2	4	1
5	2	5	1
6	2	6	1
7	3	7	1
8	3	8	1
9	3	9	1
10	4	16	1
11	4	17	1
12	4	18	1
13	5	13	1
14	5	14	1
15	5	15	1
16	6	10	1
17	6	11	1
18	6	12	1
19	7	19	1
20	7	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1