@<TRIPOS>MOLECULE
90458672
18 17 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.9518    -0.1193     0.5844	O.3	1	noname	-0.2365
2	O2     2.5612    -1.6109     1.7792	O.3	1	noname	-0.2500
3	O3     0.7910    -2.5984     0.3184	O.3	1	noname	-0.2500
4	N1    -1.5076     1.2948     0.6258	N.3	1	noname	-0.3280
5	C1     0.2004     0.0573    -0.6074	C.3	1	noname	0.0555
6	C2    -0.5993     1.3586    -0.5180	C.3	1	noname	0.0172
7	C3     1.1509     0.1240    -1.8045	C.3	1	noname	-0.0389
8	B1     1.7515    -1.4207     0.4950	B	1	noname	0.1818
9	H1    -0.4839    -0.7818    -0.7332	H	1	noname	0.0598
10	H2    -1.1762     1.4941    -1.4329	H	1	noname	0.0451
11	H3     0.0849     2.1976    -0.3923	H	1	noname	0.0451
12	H4     0.5741     0.2596    -2.7194	H	1	noname	0.0256
13	H5     1.7206    -0.8030    -1.8682	H	1	noname	0.0256
14	H6     1.8352     0.9631    -1.6787	H	1	noname	0.0256
15	H7    -2.0418     2.1640     0.6855	H	1	noname	0.1185
16	H8    -2.1492     0.5081     0.5079	H	1	noname	0.1185
17	H9     1.3032    -3.4319     0.2612	H	1	noname	0.1926
18	H10     3.1764    -0.8566     1.8922	H	1	noname	0.1926
@<TRIPOS>BOND
1	1	5	1
2	1	8	1
3	2	8	1
4	2	18	1
5	3	8	1
6	3	17	1
7	4	6	1
8	4	15	1
9	4	16	1
10	5	6	1
11	5	7	1
12	5	9	1
13	6	10	1
14	6	11	1
15	7	12	1
16	7	13	1
17	7	14	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1