@<TRIPOS>MOLECULE
91827143
17 17 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.8319    -0.7606     0.4431	O.3	1	noname	0.0000
2	N1     3.1530     2.3512    -1.2224	N.1	1	noname	0.0000
3	N2     3.9489     3.0930    -1.3972	N.1	1	noname	0.0000
4	C1     0.2452    -0.3591    -0.5838	C.2	1	noname	0.0000
5	C2     0.9299     0.1924     0.4929	C.2	1	noname	0.0000
6	C3     0.5645     0.0251    -1.8809	C.2	1	noname	0.0000
7	C4    -0.8093    -1.3420    -0.3522	C.3	1	noname	0.0000
8	C5     1.9338     1.1281     0.2724	C.2	1	noname	0.0000
9	C6     1.5684     0.9608    -2.1014	C.2	1	noname	0.0000
10	C7     2.2531     1.5124    -1.0248	C.2	1	noname	0.0000
11	H1     0.6956    -0.0896     1.4447	H	1	noname	0.0000
12	H2     0.0621    -0.3796    -2.6710	H	1	noname	0.0000
13	H3    -1.2277    -1.6580    -1.3078	H	1	noname	0.0000
14	H4    -0.3932    -2.2061     0.1658	H	1	noname	0.0000
15	H5     2.4362     1.5329     1.0624	H	1	noname	0.0000
16	H6     1.8027     1.2428    -3.0533	H	1	noname	0.0000
17	H7    -2.5397    -1.4203     0.5986	H	1	noname	0.0000
@<TRIPOS>BOND
1	1	7	1
2	1	17	1
3	2	3	3
4	2	10	1
5	4	5	2
6	4	6	1
7	4	7	1
8	5	8	1
9	5	11	1
10	6	9	2
11	6	12	1
12	7	13	1
13	7	14	1
14	8	10	2
15	8	15	1
16	9	10	1
17	9	16	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1